N'-dodecyl-N-methylpropane-1,3-diamine

C16H36N2 — CID 19812622

IUPACN'-dodecyl-N-methylpropane-1,3-diamine
SMILESCCCCCCCCCCCCNCCCNC
InChIInChI=1S/C16H36N2/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-2/h17-18H,3-16H2,1-2H3
InChIKeyOYRMAWDRAFHHJK-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.11
Rot. Bonds15

About N'-dodecyl-N-methylpropane-1,3-diamine

N'-dodecyl-N-methylpropane-1,3-diamine (PubChem CID 19812622) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N'-dodecyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-dodecyl-N-methylpropane-1,3-diamine
PubChem CID19812622
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN'-dodecyl-N-methylpropane-1,3-diamine
SMILESCCCCCCCCCCCCNCCCNC
InChIInChI=1S/C16H36N2/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-2/h17-18H,3-16H2,1-2H3
InChIKeyOYRMAWDRAFHHJK-UHFFFAOYSA-N
XLogP4.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.11
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

N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N'-hexyl-N-methylpentane-1,5-diamine;N-methyl-N'-nonylpropane-1,3-diamine;N-methyl-N'-pentylpropane-1,3-diamine;N-methylpropan-1-amine;N-methyl-N'-propylethane-1,2-diamine;N-methyl-N'-propylpentane-1,5-diamine
CID 158681878
N-methyltriacontan-1-amine
CID 19840895
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-hexylhexan-1-amine;N-methylmethanamine
CID 157403903
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839

Frequently Asked Questions

What is the IUPAC name of N'-dodecyl-N-methylpropane-1,3-diamine?
The IUPAC name of N'-dodecyl-N-methylpropane-1,3-diamine (CID 19812622) is N'-dodecyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-dodecyl-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-dodecyl-N-methylpropane-1,3-diamine is CCCCCCCCCCCCNCCCNC.
What is the InChIKey of N'-dodecyl-N-methylpropane-1,3-diamine?
The InChIKey is OYRMAWDRAFHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-2/h17-18H,3-16H2,1-2H3.
What are the key properties of N'-dodecyl-N-methylpropane-1,3-diamine?
N'-dodecyl-N-methylpropane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.11, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 19812622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).