4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine

C24H47N — CID 123187986

IUPAC4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine
SMILESC=CCCC(C)(CC(=C)C)C(C(C)CCC)C(C)NC(C)C(C)CC
InChIInChI=1S/C24H47N/c1-11-14-16-24(10,17-18(4)5)23(20(7)15-12-2)22(9)25-21(8)19(6)13-3/h11,19-23,25H,1,4,12-17H2,2-3,5-10H3
InChIKeyZENBZFORUCUCGX-UHFFFAOYSA-N
MW349.65 g/mol
LogP7.39
Rot. Bonds14

About 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine

4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine (PubChem CID 123187986) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine
PubChem CID123187986
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine
SMILESC=CCCC(C)(CC(=C)C)C(C(C)CCC)C(C)NC(C)C(C)CC
InChIInChI=1S/C24H47N/c1-11-14-16-24(10,17-18(4)5)23(20(7)15-12-2)22(9)25-21(8)19(6)13-3/h11,19-23,25H,1,4,12-17H2,2-3,5-10H3
InChIKeyZENBZFORUCUCGX-UHFFFAOYSA-N
XLogP7.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-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 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine?
The IUPAC name of 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine (CID 123187986) is 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine is C=CCCC(C)(CC(=C)C)C(C(C)CCC)C(C)NC(C)C(C)CC.
What is the InChIKey of 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine?
The InChIKey is ZENBZFORUCUCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N/c1-11-14-16-24(10,17-18(4)5)23(20(7)15-12-2)22(9)25-21(8)19(6)13-3/h11,19-23,25H,1,4,12-17H2,2-3,5-10H3.
What are the key properties of 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine?
4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine has a molecular weight of 349.65 g/mol, XLogP of 7.39, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylpentan-2-yl)-4-(2-methylprop-2-enyl)-3-pentan-2-yloct-7-en-2-amine is sourced from PubChem (CID 123187986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).