decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine

C111H261N9 — CID 167691953

IUPACdecane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine
SMILESCCCCC.CCCCCC.CCCCCCC.CCCCCCCC.CCCCCCCCC.CCCCCCCCCC.CCCCCCN(CC)CC.CCCCCN(CC)CC.CCCCCNCC.CCCCCNCCC.CCCCN(CC)CC.CCCN(CC)CC.CCCNCC.CCCNCCC.CCN(CC)CC
InChIInChI=1S/C10H23N.C10H22.C9H21N.C9H20.2C8H19N.C8H18.2C7H17N.C7H16.2C6H15N.C6H14.C5H13N.C5H12/c1-4-7-8-9-10-11(5-2)6-3;1-3-5-7-9-10-8-6-4-2;1-4-7-8-9-10(5-2)6-3;1-3-5-7-9-8-6-4-2;1-4-7-8-9(5-2)6-3;1-3-5-6-8-9-7-4-2;1-3-5-7-8-6-4-2;1-4-7-8(5-2)6-3;1-3-5-6-7-8-4-2;1-3-5-7-6-4-2;1-4-7(5-2)6-3;1-3-5-7-6-4-2;2*1-3-5-6-4-2;1-3-5-4-2/h4-10H2,1-3H3;3-10H2,1-2H3;4-9H2,1-3H3;3-9H2,1-2H3;4-8H2,1-3H3;9H,3-8H2,1-2H3;3-8H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3-7H2,1-2H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3-5H2,1-2H3
InChIKeyXBUHCTJRXUZLLO-UHFFFAOYSA-N
MW1722.37 g/mol
LogP36.04
Rot. Bonds70

About decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine

decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine (PubChem CID 167691953) has the molecular formula C111H261N9 and a molecular weight of 1722.37 g/mol. Its IUPAC name is decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine.

Molecular Properties

Compound Namedecane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine
PubChem CID167691953
Molecular FormulaC111H261N9
Molecular Weight1722.37 g/mol
Exact Mass1721.07
IUPAC Namedecane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine
SMILESCCCCC.CCCCCC.CCCCCCC.CCCCCCCC.CCCCCCCCC.CCCCCCCCCC.CCCCCCN(CC)CC.CCCCCN(CC)CC.CCCCCNCC.CCCCCNCCC.CCCCN(CC)CC.CCCN(CC)CC.CCCNCC.CCCNCCC.CCN(CC)CC
InChIInChI=1S/C10H23N.C10H22.C9H21N.C9H20.2C8H19N.C8H18.2C7H17N.C7H16.2C6H15N.C6H14.C5H13N.C5H12/c1-4-7-8-9-10-11(5-2)6-3;1-3-5-7-9-10-8-6-4-2;1-4-7-8-9-10(5-2)6-3;1-3-5-7-9-8-6-4-2;1-4-7-8-9(5-2)6-3;1-3-5-6-8-9-7-4-2;1-3-5-7-8-6-4-2;1-4-7-8(5-2)6-3;1-3-5-6-7-8-4-2;1-3-5-7-6-4-2;1-4-7(5-2)6-3;1-3-5-7-6-4-2;2*1-3-5-6-4-2;1-3-5-4-2/h4-10H2,1-3H3;3-10H2,1-2H3;4-9H2,1-3H3;3-9H2,1-2H3;4-8H2,1-3H3;9H,3-8H2,1-2H3;3-8H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3-7H2,1-2H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3-5H2,1-2H3
InChIKeyXBUHCTJRXUZLLO-UHFFFAOYSA-N
XLogP36.04
TPSA64.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds70
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001722.37
LogP ≤ 536.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N,N'-diethyl-N'-hexadecylethane-1,2-diamine
CID 154098014
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
ethane;N-ethylhexan-1-amine
CID 143229911
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866

Frequently Asked Questions

What is the IUPAC name of decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine?
The IUPAC name of decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine (CID 167691953) is decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine.
What is the SMILES notation for decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine?
The canonical SMILES for decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine is CCCCC.CCCCCC.CCCCCCC.CCCCCCCC.CCCCCCCCC.CCCCCCCCCC.CCCCCCN(CC)CC.CCCCCN(CC)CC.CCCCCNCC.CCCCCNCCC.CCCCN(CC)CC.CCCN(CC)CC.CCCNCC.CCCNCCC.CCN(CC)CC.
What is the InChIKey of decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine?
The InChIKey is XBUHCTJRXUZLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C10H22.C9H21N.C9H20.2C8H19N.C8H18.2C7H17N.C7H16.2C6H15N.C6H14.C5H13N.C5H12/c1-4-7-8-9-10-11(5-2)6-3;1-3-5-7-9-10-8-6-4-2;1-4-7-8-9-10(5-2)6-3;1-3-5-7-9-8-6-4-2;1-4-7-8-9(5-2)6-3;1-3-5-6-8-9-7-4-2;1-3-5-7-8-6-4-2;1-4-7-8(5-2)6-3;1-3-5-6-7-8-4-2;1-3-5-7-6-4-2;1-4-7(5-2)6-3;1-3-5-7-6-4-2;2*1-3-5-6-4-2;1-3-5-4-2/h4-10H2,1-3H3;3-10H2,1-2H3;4-9H2,1-3H3;3-9H2,1-2H3;4-8H2,1-3H3;9H,3-8H2,1-2H3;3-8H2,1-2H3;4-7H2,1-3H3;8H,3-7H2,1-2H3;3-7H2,1-2H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;3-5H2,1-2H3.
What are the key properties of decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine?
decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine has a molecular weight of 1722.37 g/mol, XLogP of 36.04, 70 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine is sourced from PubChem (CID 167691953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).