(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine

C15H23N — CID 116546326

IUPAC(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
SMILESCCCc1cccc(/C=C/CCNCC)c1
InChIInChI=1S/C15H23N/c1-3-8-14-10-7-11-15(13-14)9-5-6-12-16-4-2/h5,7,9-11,13,16H,3-4,6,8,12H2,1-2H3/b9-5+
InChIKeyHIRAYDPKDGMDNW-WEVVVXLNSA-N
MW217.36 g/mol
LogP3.65
Rot. Bonds7

About (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine

(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine (PubChem CID 116546326) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
PubChem CID116546326
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
SMILESCCCc1cccc(/C=C/CCNCC)c1
InChIInChI=1S/C15H23N/c1-3-8-14-10-7-11-15(13-14)9-5-6-12-16-4-2/h5,7,9-11,13,16H,3-4,6,8,12H2,1-2H3/b9-5+
InChIKeyHIRAYDPKDGMDNW-WEVVVXLNSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.65
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 (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine?
The IUPAC name of (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine (CID 116546326) is (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine?
The canonical SMILES for (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine is CCCc1cccc(/C=C/CCNCC)c1.
What is the InChIKey of (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine?
The InChIKey is HIRAYDPKDGMDNW-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H23N/c1-3-8-14-10-7-11-15(13-14)9-5-6-12-16-4-2/h5,7,9-11,13,16H,3-4,6,8,12H2,1-2H3/b9-5+.
What are the key properties of (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine?
(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine is sourced from PubChem (CID 116546326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).