1-N,2-N-dioctylpropane-1,2-diamine

C19H42N2 — CID 139931025

IUPAC1-N,2-N-dioctylpropane-1,2-diamine
SMILESCCCCCCCCNCC(C)NCCCCCCCC
InChIInChI=1S/C19H42N2/c1-4-6-8-10-12-14-16-20-18-19(3)21-17-15-13-11-9-7-5-2/h19-21H,4-18H2,1-3H3
InChIKeyLZGMHEPCPBMEJN-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.28
Rot. Bonds17

About 1-N,2-N-dioctylpropane-1,2-diamine

1-N,2-N-dioctylpropane-1,2-diamine (PubChem CID 139931025) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 1-N,2-N-dioctylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dioctylpropane-1,2-diamine
PubChem CID139931025
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name1-N,2-N-dioctylpropane-1,2-diamine
SMILESCCCCCCCCNCC(C)NCCCCCCCC
InChIInChI=1S/C19H42N2/c1-4-6-8-10-12-14-16-20-18-19(3)21-17-15-13-11-9-7-5-2/h19-21H,4-18H2,1-3H3
InChIKeyLZGMHEPCPBMEJN-UHFFFAOYSA-N
XLogP5.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-aminopropyl)-1-N-octadecylpropane-1,2-diamine
CID 88840012
3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
CID 139697693
1-N-[1-[1-(hexadecylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18792189
1-N-[1-[1-(docosylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18794953
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol
CID 71373335
N-octan-2-ylundecan-1-amine
CID 150124606
N-octan-2-ylnonan-1-amine
CID 63491715
N-pentan-2-ylheptan-1-amine
CID 43129169
N-heptan-2-yldodecan-1-amine
CID 63491878
N-heptan-2-ylheptan-1-amine
CID 43572726

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dioctylpropane-1,2-diamine?
The IUPAC name of 1-N,2-N-dioctylpropane-1,2-diamine (CID 139931025) is 1-N,2-N-dioctylpropane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dioctylpropane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dioctylpropane-1,2-diamine is CCCCCCCCNCC(C)NCCCCCCCC.
What is the InChIKey of 1-N,2-N-dioctylpropane-1,2-diamine?
The InChIKey is LZGMHEPCPBMEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-4-6-8-10-12-14-16-20-18-19(3)21-17-15-13-11-9-7-5-2/h19-21H,4-18H2,1-3H3.
What are the key properties of 1-N,2-N-dioctylpropane-1,2-diamine?
1-N,2-N-dioctylpropane-1,2-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.28, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dioctylpropane-1,2-diamine is sourced from PubChem (CID 139931025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).