1-N,1-N-di(nonyl)decane-1,3,10-triamine

C28H61N3 — CID 156535844

IUPAC1-N,1-N-di(nonyl)decane-1,3,10-triamine
SMILESCCCCCCCCCN(CCCCCCCCC)CCC(N)CCCCCCCN
InChIInChI=1S/C28H61N3/c1-3-5-7-9-11-16-20-25-31(26-21-17-12-10-8-6-4-2)27-23-28(30)22-18-14-13-15-19-24-29/h28H,3-27,29-30H2,1-2H3
InChIKeySKZCLULSLLSFLV-UHFFFAOYSA-N
MW439.82 g/mol
LogP7.81
Rot. Bonds26

About 1-N,1-N-di(nonyl)decane-1,3,10-triamine

1-N,1-N-di(nonyl)decane-1,3,10-triamine (PubChem CID 156535844) has the molecular formula C28H61N3 and a molecular weight of 439.82 g/mol. Its IUPAC name is 1-N,1-N-di(nonyl)decane-1,3,10-triamine.

Molecular Properties

Compound Name1-N,1-N-di(nonyl)decane-1,3,10-triamine
PubChem CID156535844
Molecular FormulaC28H61N3
Molecular Weight439.82 g/mol
Exact Mass439.49
IUPAC Name1-N,1-N-di(nonyl)decane-1,3,10-triamine
SMILESCCCCCCCCCN(CCCCCCCCC)CCC(N)CCCCCCCN
InChIInChI=1S/C28H61N3/c1-3-5-7-9-11-16-20-25-31(26-21-17-12-10-8-6-4-2)27-23-28(30)22-18-14-13-15-19-24-29/h28H,3-27,29-30H2,1-2H3
InChIKeySKZCLULSLLSFLV-UHFFFAOYSA-N
XLogP7.81
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.82
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

undecane-1,6-diamine
CID 18419788
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CID 161025353
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CID 154229011
nonadecane-1,13-diamine
CID 102135569
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N'-(8-octylhexadecyl)-N'-undecylpropane-1,3-diamine
CID 170756701
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N',N'-diheptylpropane-1,3-diamine
CID 22251174
1-N,1-N-didodecylbutane-1,3-diamine
CID 88670159

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-di(nonyl)decane-1,3,10-triamine?
The IUPAC name of 1-N,1-N-di(nonyl)decane-1,3,10-triamine (CID 156535844) is 1-N,1-N-di(nonyl)decane-1,3,10-triamine.
What is the SMILES notation for 1-N,1-N-di(nonyl)decane-1,3,10-triamine?
The canonical SMILES for 1-N,1-N-di(nonyl)decane-1,3,10-triamine is CCCCCCCCCN(CCCCCCCCC)CCC(N)CCCCCCCN.
What is the InChIKey of 1-N,1-N-di(nonyl)decane-1,3,10-triamine?
The InChIKey is SKZCLULSLLSFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H61N3/c1-3-5-7-9-11-16-20-25-31(26-21-17-12-10-8-6-4-2)27-23-28(30)22-18-14-13-15-19-24-29/h28H,3-27,29-30H2,1-2H3.
What are the key properties of 1-N,1-N-di(nonyl)decane-1,3,10-triamine?
1-N,1-N-di(nonyl)decane-1,3,10-triamine has a molecular weight of 439.82 g/mol, XLogP of 7.81, 26 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-di(nonyl)decane-1,3,10-triamine is sourced from PubChem (CID 156535844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).