2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine

C30H65N3 — CID 19991248

IUPAC2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine
SMILESCCCCCCCCCCCCNCC(C)N(CCCCCCCCCCCC)CC(C)N
InChIInChI=1S/C30H65N3/c1-5-7-9-11-13-15-17-19-21-23-25-32-27-30(4)33(28-29(3)31)26-24-22-20-18-16-14-12-10-8-6-2/h29-30,32H,5-28,31H2,1-4H3
InChIKeyUCCAQYYHSCSPRP-UHFFFAOYSA-N
MW467.87 g/mol
LogP8.46
Rot. Bonds27

About 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine

2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine (PubChem CID 19991248) has the molecular formula C30H65N3 and a molecular weight of 467.87 g/mol. Its IUPAC name is 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine
PubChem CID19991248
Molecular FormulaC30H65N3
Molecular Weight467.87 g/mol
Exact Mass467.52
IUPAC Name2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine
SMILESCCCCCCCCCCCCNCC(C)N(CCCCCCCCCCCC)CC(C)N
InChIInChI=1S/C30H65N3/c1-5-7-9-11-13-15-17-19-21-23-25-32-27-30(4)33(28-29(3)31)26-24-22-20-18-16-14-12-10-8-6-2/h29-30,32H,5-28,31H2,1-4H3
InChIKeyUCCAQYYHSCSPRP-UHFFFAOYSA-N
XLogP8.46
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.87
LogP ≤ 58.46
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

N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
1-N-octadecylpropane-1,2-diamine;propane-1,2-diamine;bis(prop-1-ene)
CID 18792185
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
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine
CID 139915340
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine (CID 19991248) is 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine is CCCCCCCCCCCCNCC(C)N(CCCCCCCCCCCC)CC(C)N.
What is the InChIKey of 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine?
The InChIKey is UCCAQYYHSCSPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H65N3/c1-5-7-9-11-13-15-17-19-21-23-25-32-27-30(4)33(28-29(3)31)26-24-22-20-18-16-14-12-10-8-6-2/h29-30,32H,5-28,31H2,1-4H3.
What are the key properties of 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine?
2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine has a molecular weight of 467.87 g/mol, XLogP of 8.46, 27 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine is sourced from PubChem (CID 19991248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).