N,11-dimethyl-3-propyltridec-11-en-1-amine

C18H37N — CID 90700707

IUPACN,11-dimethyl-3-propyltridec-11-en-1-amine
SMILESCC=C(C)CCCCCCCC(CCC)CCNC
InChIInChI=1S/C18H37N/c1-5-12-18(15-16-19-4)14-11-9-7-8-10-13-17(3)6-2/h6,18-19H,5,7-16H2,1-4H3
InChIKeyVLDCPZZAFRDCIJ-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.71
Rot. Bonds13

About N,11-dimethyl-3-propyltridec-11-en-1-amine

N,11-dimethyl-3-propyltridec-11-en-1-amine (PubChem CID 90700707) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N,11-dimethyl-3-propyltridec-11-en-1-amine.

Molecular Properties

Compound NameN,11-dimethyl-3-propyltridec-11-en-1-amine
PubChem CID90700707
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN,11-dimethyl-3-propyltridec-11-en-1-amine
SMILESCC=C(C)CCCCCCCC(CCC)CCNC
InChIInChI=1S/C18H37N/c1-5-12-18(15-16-19-4)14-11-9-7-8-10-13-17(3)6-2/h6,18-19H,5,7-16H2,1-4H3
InChIKeyVLDCPZZAFRDCIJ-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.71
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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Frequently Asked Questions

What is the IUPAC name of N,11-dimethyl-3-propyltridec-11-en-1-amine?
The IUPAC name of N,11-dimethyl-3-propyltridec-11-en-1-amine (CID 90700707) is N,11-dimethyl-3-propyltridec-11-en-1-amine.
What is the SMILES notation for N,11-dimethyl-3-propyltridec-11-en-1-amine?
The canonical SMILES for N,11-dimethyl-3-propyltridec-11-en-1-amine is CC=C(C)CCCCCCCC(CCC)CCNC.
What is the InChIKey of N,11-dimethyl-3-propyltridec-11-en-1-amine?
The InChIKey is VLDCPZZAFRDCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-12-18(15-16-19-4)14-11-9-7-8-10-13-17(3)6-2/h6,18-19H,5,7-16H2,1-4H3.
What are the key properties of N,11-dimethyl-3-propyltridec-11-en-1-amine?
N,11-dimethyl-3-propyltridec-11-en-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.71, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,11-dimethyl-3-propyltridec-11-en-1-amine is sourced from PubChem (CID 90700707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).