N,N',N'-tridodecylethane-1,2-diamine

C38H80N2 — CID 166798413

IUPACN,N',N'-tridodecylethane-1,2-diamine
SMILESCCCCCCCCCCCCNCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C38H80N2/c1-4-7-10-13-16-19-22-25-28-31-34-39-35-38-40(36-32-29-26-23-20-17-14-11-8-5-2)37-33-30-27-24-21-18-15-12-9-6-3/h39H,4-38H2,1-3H3
InChIKeyMLSRIEVFKWUFRX-UHFFFAOYSA-N
MW565.07 g/mol
LogP12.64
Rot. Bonds36

About N,N',N'-tridodecylethane-1,2-diamine

N,N',N'-tridodecylethane-1,2-diamine (PubChem CID 166798413) has the molecular formula C38H80N2 and a molecular weight of 565.07 g/mol. Its IUPAC name is N,N',N'-tridodecylethane-1,2-diamine.

Molecular Properties

Compound NameN,N',N'-tridodecylethane-1,2-diamine
PubChem CID166798413
Molecular FormulaC38H80N2
Molecular Weight565.07 g/mol
Exact Mass564.63
IUPAC NameN,N',N'-tridodecylethane-1,2-diamine
SMILESCCCCCCCCCCCCNCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C38H80N2/c1-4-7-10-13-16-19-22-25-28-31-34-39-35-38-40(36-32-29-26-23-20-17-14-11-8-5-2)37-33-30-27-24-21-18-15-12-9-6-3/h39H,4-38H2,1-3H3
InChIKeyMLSRIEVFKWUFRX-UHFFFAOYSA-N
XLogP12.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.07
LogP ≤ 512.64
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-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N,N,N',N'-tetrakis[3-[bis[3-(dodecylamino)propyl]amino]propyl]butane-1,4-diamine
CID 102324687
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
CID 134519108
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N'-(3-aminopropyl)-N'-[3-(dodecylamino)propyl]propane-1,3-diamine
CID 164800746
N,N-dipentylhexadecan-1-amine
CID 139723811

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tridodecylethane-1,2-diamine?
The IUPAC name of N,N',N'-tridodecylethane-1,2-diamine (CID 166798413) is N,N',N'-tridodecylethane-1,2-diamine.
What is the SMILES notation for N,N',N'-tridodecylethane-1,2-diamine?
The canonical SMILES for N,N',N'-tridodecylethane-1,2-diamine is CCCCCCCCCCCCNCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of N,N',N'-tridodecylethane-1,2-diamine?
The InChIKey is MLSRIEVFKWUFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80N2/c1-4-7-10-13-16-19-22-25-28-31-34-39-35-38-40(36-32-29-26-23-20-17-14-11-8-5-2)37-33-30-27-24-21-18-15-12-9-6-3/h39H,4-38H2,1-3H3.
What are the key properties of N,N',N'-tridodecylethane-1,2-diamine?
N,N',N'-tridodecylethane-1,2-diamine has a molecular weight of 565.07 g/mol, XLogP of 12.64, 36 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tridodecylethane-1,2-diamine is sourced from PubChem (CID 166798413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).