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

C16H27N — CID 88928211

IUPAC(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)NCC1CC1(C)CCC=C(C)C
InChIInChI=1S/C16H27N/c1-6-8-14(4)17-12-15-11-16(15,5)10-7-9-13(2)3/h6,8-9,15,17H,4,7,10-12H2,1-3,5H3/b8-6+
InChIKeyFLTQHKASKMQATH-SOFGYWHQSA-N
MW233.40 g/mol
LogP4.44
Rot. Bonds7

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

(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (PubChem CID 88928211) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
PubChem CID88928211
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(/C=C/C)NCC1CC1(C)CCC=C(C)C
InChIInChI=1S/C16H27N/c1-6-8-14(4)17-12-15-11-16(15,5)10-7-9-13(2)3/h6,8-9,15,17H,4,7,10-12H2,1-3,5H3/b8-6+
InChIKeyFLTQHKASKMQATH-SOFGYWHQSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
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]penta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (CID 88928211) is (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine is C=C(/C=C/C)NCC1CC1(C)CCC=C(C)C.
What is the InChIKey of (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The InChIKey is FLTQHKASKMQATH-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H27N/c1-6-8-14(4)17-12-15-11-16(15,5)10-7-9-13(2)3/h6,8-9,15,17H,4,7,10-12H2,1-3,5H3/b8-6+.
What are the key properties of (3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 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]penta-1,3-dien-2-amine is sourced from PubChem (CID 88928211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).