1-N-decyl-1-N-methylpropane-1,2-diamine

C14H32N2 — CID 63758995

IUPAC1-N-decyl-1-N-methylpropane-1,2-diamine
SMILESCCCCCCCCCCN(C)CC(C)N
InChIInChI=1S/C14H32N2/c1-4-5-6-7-8-9-10-11-12-16(3)13-14(2)15/h14H,4-13,15H2,1-3H3
InChIKeyRUVYJRZONDHDCF-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.41
Rot. Bonds11

About 1-N-decyl-1-N-methylpropane-1,2-diamine

1-N-decyl-1-N-methylpropane-1,2-diamine (PubChem CID 63758995) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-decyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-decyl-1-N-methylpropane-1,2-diamine
PubChem CID63758995
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-decyl-1-N-methylpropane-1,2-diamine
SMILESCCCCCCCCCCN(C)CC(C)N
InChIInChI=1S/C14H32N2/c1-4-5-6-7-8-9-10-11-12-16(3)13-14(2)15/h14H,4-13,15H2,1-3H3
InChIKeyRUVYJRZONDHDCF-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.41
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

1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
CID 63759164
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744

Frequently Asked Questions

What is the IUPAC name of 1-N-decyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-decyl-1-N-methylpropane-1,2-diamine (CID 63758995) is 1-N-decyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-decyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-decyl-1-N-methylpropane-1,2-diamine is CCCCCCCCCCN(C)CC(C)N.
What is the InChIKey of 1-N-decyl-1-N-methylpropane-1,2-diamine?
The InChIKey is RUVYJRZONDHDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-4-5-6-7-8-9-10-11-12-16(3)13-14(2)15/h14H,4-13,15H2,1-3H3.
What are the key properties of 1-N-decyl-1-N-methylpropane-1,2-diamine?
1-N-decyl-1-N-methylpropane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-decyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63758995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).