N-decyl-N',N'-diethyloctane-1,8-diamine

C22H48N2 — CID 54513384

IUPACN-decyl-N',N'-diethyloctane-1,8-diamine
SMILESCCCCCCCCCCNCCCCCCCCN(CC)CC
InChIInChI=1S/C22H48N2/c1-4-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22-24(5-2)6-3/h23H,4-22H2,1-3H3
InChIKeyYKSAQNHEQRPURO-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.40
Rot. Bonds20

About N-decyl-N',N'-diethyloctane-1,8-diamine

N-decyl-N',N'-diethyloctane-1,8-diamine (PubChem CID 54513384) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is N-decyl-N',N'-diethyloctane-1,8-diamine.

Molecular Properties

Compound NameN-decyl-N',N'-diethyloctane-1,8-diamine
PubChem CID54513384
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC NameN-decyl-N',N'-diethyloctane-1,8-diamine
SMILESCCCCCCCCCCNCCCCCCCCN(CC)CC
InChIInChI=1S/C22H48N2/c1-4-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22-24(5-2)6-3/h23H,4-22H2,1-3H3
InChIKeyYKSAQNHEQRPURO-UHFFFAOYSA-N
XLogP6.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.40
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-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
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
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N-decyl-N',N'-diethylpropane-1,3-diamine;octadecanoic acid
CID 157321118
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-decyl-N',N'-diethyloctane-1,8-diamine?
The IUPAC name of N-decyl-N',N'-diethyloctane-1,8-diamine (CID 54513384) is N-decyl-N',N'-diethyloctane-1,8-diamine.
What is the SMILES notation for N-decyl-N',N'-diethyloctane-1,8-diamine?
The canonical SMILES for N-decyl-N',N'-diethyloctane-1,8-diamine is CCCCCCCCCCNCCCCCCCCN(CC)CC.
What is the InChIKey of N-decyl-N',N'-diethyloctane-1,8-diamine?
The InChIKey is YKSAQNHEQRPURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-4-7-8-9-10-11-14-17-20-23-21-18-15-12-13-16-19-22-24(5-2)6-3/h23H,4-22H2,1-3H3.
What are the key properties of N-decyl-N',N'-diethyloctane-1,8-diamine?
N-decyl-N',N'-diethyloctane-1,8-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.40, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N',N'-diethyloctane-1,8-diamine is sourced from PubChem (CID 54513384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).