N,3-dimethyltetradec-12-en-1-amine

C16H33N — CID 123383933

IUPACN,3-dimethyltetradec-12-en-1-amine
SMILESCC=CCCCCCCCCC(C)CCNC
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17-3/h4-5,16-17H,6-15H2,1-3H3
InChIKeyLKPVAUWPYXGWIH-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.93
Rot. Bonds12

About N,3-dimethyltetradec-12-en-1-amine

N,3-dimethyltetradec-12-en-1-amine (PubChem CID 123383933) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N,3-dimethyltetradec-12-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyltetradec-12-en-1-amine
PubChem CID123383933
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN,3-dimethyltetradec-12-en-1-amine
SMILESCC=CCCCCCCCCC(C)CCNC
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17-3/h4-5,16-17H,6-15H2,1-3H3
InChIKeyLKPVAUWPYXGWIH-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
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(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
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{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
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Ethyl oleylamine
CID 87846620
1,2-dilinoleyl-N,N-dimethyl-3-aminopropane
CID 139600217
(E)-N-methyloctadec-9-en-1-amine
CID 19097637

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyltetradec-12-en-1-amine?
The IUPAC name of N,3-dimethyltetradec-12-en-1-amine (CID 123383933) is N,3-dimethyltetradec-12-en-1-amine.
What is the SMILES notation for N,3-dimethyltetradec-12-en-1-amine?
The canonical SMILES for N,3-dimethyltetradec-12-en-1-amine is CC=CCCCCCCCCC(C)CCNC.
What is the InChIKey of N,3-dimethyltetradec-12-en-1-amine?
The InChIKey is LKPVAUWPYXGWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-13-16(2)14-15-17-3/h4-5,16-17H,6-15H2,1-3H3.
What are the key properties of N,3-dimethyltetradec-12-en-1-amine?
N,3-dimethyltetradec-12-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyltetradec-12-en-1-amine is sourced from PubChem (CID 123383933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).