(6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine

C20H35N — CID 134402483

IUPAC(6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine
SMILESC=CCC(C)/C(=C\CCCC(=C)NC(C=C)CC)CCC
InChIInChI=1S/C20H35N/c1-7-13-17(5)19(14-8-2)16-12-11-15-18(6)21-20(9-3)10-4/h7,9,16-17,20-21H,1,3,6,8,10-15H2,2,4-5H3/b19-16-
InChIKeyOTJXRUNPVVHNJG-MNDPQUGUSA-N
MW289.51 g/mol
LogP6.16
Rot. Bonds13

About (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine

(6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine (PubChem CID 134402483) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine.

Molecular Properties

Compound Name(6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine
PubChem CID134402483
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine
SMILESC=CCC(C)/C(=C\CCCC(=C)NC(C=C)CC)CCC
InChIInChI=1S/C20H35N/c1-7-13-17(5)19(14-8-2)16-12-11-15-18(6)21-20(9-3)10-4/h7,9,16-17,20-21H,1,3,6,8,10-15H2,2,4-5H3/b19-16-
InChIKeyOTJXRUNPVVHNJG-MNDPQUGUSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.16
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 (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-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 (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine?
The IUPAC name of (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine (CID 134402483) is (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine.
What is the SMILES notation for (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine?
The canonical SMILES for (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine is C=CCC(C)/C(=C\CCCC(=C)NC(C=C)CC)CCC.
What is the InChIKey of (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine?
The InChIKey is OTJXRUNPVVHNJG-MNDPQUGUSA-N. The full InChI is InChI=1S/C20H35N/c1-7-13-17(5)19(14-8-2)16-12-11-15-18(6)21-20(9-3)10-4/h7,9,16-17,20-21H,1,3,6,8,10-15H2,2,4-5H3/b19-16-.
What are the key properties of (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine?
(6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine has a molecular weight of 289.51 g/mol, XLogP of 6.16, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-methyl-N-pent-1-en-3-yl-7-propylundeca-1,6,10-trien-2-amine is sourced from PubChem (CID 134402483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).