2,9-dimethyl-N-propyldodec-11-en-1-amine

C17H35N — CID 123415394

IUPAC2,9-dimethyl-N-propyldodec-11-en-1-amine
SMILESC=CCC(C)CCCCCCC(C)CNCCC
InChIInChI=1S/C17H35N/c1-5-11-16(3)12-9-7-8-10-13-17(4)15-18-14-6-2/h5,16-18H,1,6-15H2,2-4H3
InChIKeyBSDYQPFFFFRZID-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.17
Rot. Bonds13

About 2,9-dimethyl-N-propyldodec-11-en-1-amine

2,9-dimethyl-N-propyldodec-11-en-1-amine (PubChem CID 123415394) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2,9-dimethyl-N-propyldodec-11-en-1-amine.

Molecular Properties

Compound Name2,9-dimethyl-N-propyldodec-11-en-1-amine
PubChem CID123415394
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2,9-dimethyl-N-propyldodec-11-en-1-amine
SMILESC=CCC(C)CCCCCCC(C)CNCCC
InChIInChI=1S/C17H35N/c1-5-11-16(3)12-9-7-8-10-13-17(4)15-18-14-6-2/h5,16-18H,1,6-15H2,2-4H3
InChIKeyBSDYQPFFFFRZID-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.17
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 2,9-dimethyl-N-propyldodec-11-en-1-amine?
The IUPAC name of 2,9-dimethyl-N-propyldodec-11-en-1-amine (CID 123415394) is 2,9-dimethyl-N-propyldodec-11-en-1-amine.
What is the SMILES notation for 2,9-dimethyl-N-propyldodec-11-en-1-amine?
The canonical SMILES for 2,9-dimethyl-N-propyldodec-11-en-1-amine is C=CCC(C)CCCCCCC(C)CNCCC.
What is the InChIKey of 2,9-dimethyl-N-propyldodec-11-en-1-amine?
The InChIKey is BSDYQPFFFFRZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-11-16(3)12-9-7-8-10-13-17(4)15-18-14-6-2/h5,16-18H,1,6-15H2,2-4H3.
What are the key properties of 2,9-dimethyl-N-propyldodec-11-en-1-amine?
2,9-dimethyl-N-propyldodec-11-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.17, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-N-propyldodec-11-en-1-amine is sourced from PubChem (CID 123415394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).