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

C20H35N — CID 88928205

IUPAC(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)N(CC(C)C)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-8-10-18(6)21(14-17(4)5)15-19-13-20(19,7)12-9-11-16(2)3/h8,10-11,17,19H,6,9,12-15H2,1-5,7H3/b10-8+
InChIKeyHSVWNIXIOHVNGZ-CSKARUKUSA-N
MW289.51 g/mol
LogP5.81
Rot. Bonds9

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

(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine (PubChem CID 88928205) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
PubChem CID88928205
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)N(CC(C)C)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-8-10-18(6)21(14-17(4)5)15-19-13-20(19,7)12-9-11-16(2)3/h8,10-11,17,19H,6,9,12-15H2,1-5,7H3/b10-8+
InChIKeyHSVWNIXIOHVNGZ-CSKARUKUSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.81
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine (CID 88928205) is (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine is C=C(/C=C/C)N(CC(C)C)CC1CC1(C)CCC=C(C)C.
What is the InChIKey of (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine?
The InChIKey is HSVWNIXIOHVNGZ-CSKARUKUSA-N. The full InChI is InChI=1S/C20H35N/c1-8-10-18(6)21(14-17(4)5)15-19-13-20(19,7)12-9-11-16(2)3/h8,10-11,17,19H,6,9,12-15H2,1-5,7H3/b10-8+.
What are the key properties of (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine?
(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-(2-methylpropyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 88928205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).