1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine

C18H41N3 — CID 139915340

IUPAC1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine
SMILESCCCCCCCCCCCCN(CCCN)CC(C)N
InChIInChI=1S/C18H41N3/c1-3-4-5-6-7-8-9-10-11-12-15-21(16-13-14-19)17-18(2)20/h18H,3-17,19-20H2,1-2H3
InChIKeyOBETVKGBZSTLRL-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.91
Rot. Bonds16

About 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine

1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine (PubChem CID 139915340) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine
PubChem CID139915340
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC Name1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine
SMILESCCCCCCCCCCCCN(CCCN)CC(C)N
InChIInChI=1S/C18H41N3/c1-3-4-5-6-7-8-9-10-11-12-15-21(16-13-14-19)17-18(2)20/h18H,3-17,19-20H2,1-2H3
InChIKeyOBETVKGBZSTLRL-UHFFFAOYSA-N
XLogP3.91
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.91
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',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
1-[3-aminopropyl-[13-[3-aminopropyl(2-hydroxytetradecyl)amino]tridecyl]amino]tetradecan-2-ol
CID 59095622
1-[3-aminopropyl-[12-[3-aminopropyl(2-hydroxyhexadecyl)amino]dodecyl]amino]hexadecan-2-ol
CID 71359787
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine (CID 139915340) is 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine is CCCCCCCCCCCCN(CCCN)CC(C)N.
What is the InChIKey of 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine?
The InChIKey is OBETVKGBZSTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-3-4-5-6-7-8-9-10-11-12-15-21(16-13-14-19)17-18(2)20/h18H,3-17,19-20H2,1-2H3.
What are the key properties of 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine?
1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.91, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-aminopropyl)-1-N-dodecylpropane-1,2-diamine is sourced from PubChem (CID 139915340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).