N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine

C18H35N — CID 126510170

IUPACN-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine
SMILESC=C(CCC(=C)C(C)C)NCCCCCCCCC
InChIInChI=1S/C18H35N/c1-6-7-8-9-10-11-12-15-19-18(5)14-13-17(4)16(2)3/h16,19H,4-15H2,1-3H3
InChIKeyUJHWCZCAZIUHAO-UHFFFAOYSA-N
MW265.49 g/mol
LogP5.83
Rot. Bonds13

About N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine

N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine (PubChem CID 126510170) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine
PubChem CID126510170
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC NameN-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine
SMILESC=C(CCC(=C)C(C)C)NCCCCCCCCC
InChIInChI=1S/C18H35N/c1-6-7-8-9-10-11-12-15-19-18(5)14-13-17(4)16(2)3/h16,19H,4-15H2,1-3H3
InChIKeyUJHWCZCAZIUHAO-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.83
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 N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine?
The IUPAC name of N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine (CID 126510170) is N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine.
What is the SMILES notation for N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine?
The canonical SMILES for N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine is C=C(CCC(=C)C(C)C)NCCCCCCCCC.
What is the InChIKey of N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine?
The InChIKey is UJHWCZCAZIUHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-7-8-9-10-11-12-15-19-18(5)14-13-17(4)16(2)3/h16,19H,4-15H2,1-3H3.
What are the key properties of N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine?
N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine has a molecular weight of 265.49 g/mol, XLogP of 5.83, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-methylidenehept-1-en-2-yl)nonan-1-amine is sourced from PubChem (CID 126510170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).