4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine

C11H19N — CID 174081834

IUPAC4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine
SMILESC/C=C/C=C1\CC1CCCCN
InChIInChI=1S/C11H19N/c1-2-3-6-10-9-11(10)7-4-5-8-12/h2-3,6,11H,4-5,7-9,12H2,1H3/b3-2+,10-6+
InChIKeyWJXKNHKTGJIEGW-RCFWGOLESA-N
MW165.28 g/mol
LogP2.64
Rot. Bonds5

About 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine

4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine (PubChem CID 174081834) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine.

Molecular Properties

Compound Name4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine
PubChem CID174081834
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine
SMILESC/C=C/C=C1\CC1CCCCN
InChIInChI=1S/C11H19N/c1-2-3-6-10-9-11(10)7-4-5-8-12/h2-3,6,11H,4-5,7-9,12H2,1H3/b3-2+,10-6+
InChIKeyWJXKNHKTGJIEGW-RCFWGOLESA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine?
The IUPAC name of 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine (CID 174081834) is 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine.
What is the SMILES notation for 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine?
The canonical SMILES for 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine is C/C=C/C=C1\CC1CCCCN.
What is the InChIKey of 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine?
The InChIKey is WJXKNHKTGJIEGW-RCFWGOLESA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-6-10-9-11(10)7-4-5-8-12/h2-3,6,11H,4-5,7-9,12H2,1H3/b3-2+,10-6+.
What are the key properties of 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine?
4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine is sourced from PubChem (CID 174081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).