(3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine

C20H35N — CID 88928204

IUPAC(3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)N(CCCC)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-7-9-14-21(18(5)11-8-2)16-19-15-20(19,6)13-10-12-17(3)4/h8,11-12,19H,5,7,9-10,13-16H2,1-4,6H3/b11-8+
InChIKeyDJJFSOMQNYJUCR-DHZHZOJOSA-N
MW289.51 g/mol
LogP5.95
Rot. Bonds10

About (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine

(3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (PubChem CID 88928204) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
PubChem CID88928204
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)N(CCCC)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-7-9-14-21(18(5)11-8-2)16-19-15-20(19,6)13-10-12-17(3)4/h8,11-12,19H,5,7,9-10,13-16H2,1-4,6H3/b11-8+
InChIKeyDJJFSOMQNYJUCR-DHZHZOJOSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-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 (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (CID 88928204) is (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine is C=C(/C=C/C)N(CCCC)CC1CC1(C)CCC=C(C)C.
What is the InChIKey of (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The InChIKey is DJJFSOMQNYJUCR-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H35N/c1-7-9-14-21(18(5)11-8-2)16-19-15-20(19,6)13-10-12-17(3)4/h8,11-12,19H,5,7,9-10,13-16H2,1-4,6H3/b11-8+.
What are the key properties of (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
(3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine is sourced from PubChem (CID 88928204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).