(2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine

C15H27N — CID 88576753

IUPAC(2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)NCCC)[C@@H]1C[C@@H]1CC(C)C
InChIInChI=1S/C15H27N/c1-6-7-16-13(5)9-12(4)15-10-14(15)8-11(2)3/h9,11,14-16H,4,6-8,10H2,1-3,5H3/b13-9+/t14-,15-/m0/s1
InChIKeyQKZBRMLBDZIKCS-FQSSWDBKSA-N
MW221.39 g/mol
LogP4.13
Rot. Bonds7

About (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine

(2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine (PubChem CID 88576753) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine
PubChem CID88576753
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)NCCC)[C@@H]1C[C@@H]1CC(C)C
InChIInChI=1S/C15H27N/c1-6-7-16-13(5)9-12(4)15-10-14(15)8-11(2)3/h9,11,14-16H,4,6-8,10H2,1-3,5H3/b13-9+/t14-,15-/m0/s1
InChIKeyQKZBRMLBDZIKCS-FQSSWDBKSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine (CID 88576753) is (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine is C=C(/C=C(\C)NCCC)[C@@H]1C[C@@H]1CC(C)C.
What is the InChIKey of (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine?
The InChIKey is QKZBRMLBDZIKCS-FQSSWDBKSA-N. The full InChI is InChI=1S/C15H27N/c1-6-7-16-13(5)9-12(4)15-10-14(15)8-11(2)3/h9,11,14-16H,4,6-8,10H2,1-3,5H3/b13-9+/t14-,15-/m0/s1.
What are the key properties of (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine?
(2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-[(1R,2S)-2-(2-methylpropyl)cyclopropyl]-N-propylpenta-2,4-dien-2-amine is sourced from PubChem (CID 88576753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).