N,N-bis(2-methylpropyl)tridec-1-en-1-amine

C21H43N — CID 170848211

IUPACN,N-bis(2-methylpropyl)tridec-1-en-1-amine
SMILESCCCCCCCCCCCC=CN(CC(C)C)CC(C)C
InChIInChI=1S/C21H43N/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(18-20(2)3)19-21(4)5/h16-17,20-21H,6-15,18-19H2,1-5H3
InChIKeyALFNAJBJOATMMB-UHFFFAOYSA-N
MW309.58 g/mol
LogP7.03
Rot. Bonds15

About N,N-bis(2-methylpropyl)tridec-1-en-1-amine

N,N-bis(2-methylpropyl)tridec-1-en-1-amine (PubChem CID 170848211) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)tridec-1-en-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)tridec-1-en-1-amine
PubChem CID170848211
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN,N-bis(2-methylpropyl)tridec-1-en-1-amine
SMILESCCCCCCCCCCCC=CN(CC(C)C)CC(C)C
InChIInChI=1S/C21H43N/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(18-20(2)3)19-21(4)5/h16-17,20-21H,6-15,18-19H2,1-5H3
InChIKeyALFNAJBJOATMMB-UHFFFAOYSA-N
XLogP7.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyldodecenamine
CID 54137614
Dimethyl-didodecenylammonium chloride
CID 74014596
N,N-dimethyloctadec-1-en-1-amine
CID 53401310
N,N-Dimethyl-N-(octadec-1-en-1-yl)octadec-1-en-1-aminium chloride
CID 71360863
N,N-dimethylnonadec-1-en-1-amine
CID 74010646
N-methyl-N-octadec-1-enyloctadec-1-en-1-amine
CID 87390461
N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
CID 170847923
Dimethyl ethyl octadecenyl ammonium bromide
CID 86129253
(E)-N,N-diethylnon-1-en-1-amine
CID 101269106
Dii-amylnonenylamine
CID 129775763
N-nonyl-N-isoamyl-a'-isopentenylamine
CID 129775783
dimethyl-bis[(E)-octadec-1-enyl]azanium bromide
CID 11377118

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)tridec-1-en-1-amine?
The IUPAC name of N,N-bis(2-methylpropyl)tridec-1-en-1-amine (CID 170848211) is N,N-bis(2-methylpropyl)tridec-1-en-1-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)tridec-1-en-1-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)tridec-1-en-1-amine is CCCCCCCCCCCC=CN(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)tridec-1-en-1-amine?
The InChIKey is ALFNAJBJOATMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(18-20(2)3)19-21(4)5/h16-17,20-21H,6-15,18-19H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)tridec-1-en-1-amine?
N,N-bis(2-methylpropyl)tridec-1-en-1-amine has a molecular weight of 309.58 g/mol, XLogP of 7.03, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)tridec-1-en-1-amine is sourced from PubChem (CID 170848211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).