2-methyl-N-propyltridec-1-en-4-amine

C17H35N — CID 105004090

IUPAC2-methyl-N-propyltridec-1-en-4-amine
SMILESC=C(C)CC(CCCCCCCCC)NCCC
InChIInChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-17(15-16(3)4)18-14-6-2/h17-18H,3,5-15H2,1-2,4H3
InChIKeyAWGQKIKZAZLOAZ-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.46
Rot. Bonds13

About 2-methyl-N-propyltridec-1-en-4-amine

2-methyl-N-propyltridec-1-en-4-amine (PubChem CID 105004090) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-methyl-N-propyltridec-1-en-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyltridec-1-en-4-amine
PubChem CID105004090
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2-methyl-N-propyltridec-1-en-4-amine
SMILESC=C(C)CC(CCCCCCCCC)NCCC
InChIInChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-17(15-16(3)4)18-14-6-2/h17-18H,3,5-15H2,1-2,4H3
InChIKeyAWGQKIKZAZLOAZ-UHFFFAOYSA-N
XLogP5.46
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 ≤ 55.46
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'}

Analyze 2-methyl-N-propyltridec-1-en-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(propylamino)octanoic acid
CID 65236030
3-(propylamino)dodecan-1-ol
CID 114078400
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
CID 79185950
N-propyldodec-1-yn-4-amine
CID 114977040
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563
N-propylundec-1-en-5-amine
CID 104987530
1-N,1-N-dimethyl-2-N-propyldodecane-1,2-diamine
CID 79089113
1-(propylamino)nonan-1-ol
CID 88518015
1-(propylamino)dodecan-1-ol
CID 88518023
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
1-ethylsulfanyl-N-propylnonan-2-amine
CID 65128224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyltridec-1-en-4-amine?
The IUPAC name of 2-methyl-N-propyltridec-1-en-4-amine (CID 105004090) is 2-methyl-N-propyltridec-1-en-4-amine.
What is the SMILES notation for 2-methyl-N-propyltridec-1-en-4-amine?
The canonical SMILES for 2-methyl-N-propyltridec-1-en-4-amine is C=C(C)CC(CCCCCCCCC)NCCC.
What is the InChIKey of 2-methyl-N-propyltridec-1-en-4-amine?
The InChIKey is AWGQKIKZAZLOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-17(15-16(3)4)18-14-6-2/h17-18H,3,5-15H2,1-2,4H3.
What are the key properties of 2-methyl-N-propyltridec-1-en-4-amine?
2-methyl-N-propyltridec-1-en-4-amine has a molecular weight of 253.47 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyltridec-1-en-4-amine is sourced from PubChem (CID 105004090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).