benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen

C16H34N2 — CID 145423595

IUPACbenzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen
SMILESCCCCCN(CC)CC.CN.[H][H].c1ccccc1
InChIInChI=1S/C9H21N.C6H6.CH5N.H2/c1-4-7-8-9-10(5-2)6-3;1-2-4-6-5-3-1;1-2;/h4-9H2,1-3H3;1-6H;2H2,1H3;1H
InChIKeyDRHGZYBNGDFFMB-UHFFFAOYSA-N
MW254.46 g/mol
LogP4.03
Rot. Bonds6

About benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen

benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen (PubChem CID 145423595) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen.

Molecular Properties

Compound Namebenzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen
PubChem CID145423595
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Namebenzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen
SMILESCCCCCN(CC)CC.CN.[H][H].c1ccccc1
InChIInChI=1S/C9H21N.C6H6.CH5N.H2/c1-4-7-8-9-10(5-2)6-3;1-2-4-6-5-3-1;1-2;/h4-9H2,1-3H3;1-6H;2H2,1H3;1H
InChIKeyDRHGZYBNGDFFMB-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N,N-diethylpentan-1-amine;1-phenylethanamine
CID 175350280
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
N,N-dioctyloctan-1-amine
CID 14227
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N,N-dipentylpentan-1-amine;hydrate
CID 156801056

Frequently Asked Questions

What is the IUPAC name of benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen?
The IUPAC name of benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen (CID 145423595) is benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen.
What is the SMILES notation for benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen?
The canonical SMILES for benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen is CCCCCN(CC)CC.CN.[H][H].c1ccccc1.
What is the InChIKey of benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen?
The InChIKey is DRHGZYBNGDFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C6H6.CH5N.H2/c1-4-7-8-9-10(5-2)6-3;1-2-4-6-5-3-1;1-2;/h4-9H2,1-3H3;1-6H;2H2,1H3;1H.
What are the key properties of benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen?
benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen has a molecular weight of 254.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen is sourced from PubChem (CID 145423595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).