(3E)-N-butylhexa-3,5-dien-1-amine

C10H19N — CID 59529047

IUPAC(3E)-N-butylhexa-3,5-dien-1-amine
SMILESC=C/C=C/CCNCCCC
InChIInChI=1S/C10H19N/c1-3-5-7-8-10-11-9-6-4-2/h3,5,7,11H,1,4,6,8-10H2,2H3/b7-5+
InChIKeyUSGKJARNVPTLMY-FNORWQNLSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds7

About (3E)-N-butylhexa-3,5-dien-1-amine

(3E)-N-butylhexa-3,5-dien-1-amine (PubChem CID 59529047) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3E)-N-butylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-N-butylhexa-3,5-dien-1-amine
PubChem CID59529047
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3E)-N-butylhexa-3,5-dien-1-amine
SMILESC=C/C=C/CCNCCCC
InChIInChI=1S/C10H19N/c1-3-5-7-8-10-11-9-6-4-2/h3,5,7,11H,1,4,6,8-10H2,2H3/b7-5+
InChIKeyUSGKJARNVPTLMY-FNORWQNLSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-butylhexa-3,5-dien-1-amine?
The IUPAC name of (3E)-N-butylhexa-3,5-dien-1-amine (CID 59529047) is (3E)-N-butylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-N-butylhexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-N-butylhexa-3,5-dien-1-amine is C=C/C=C/CCNCCCC.
What is the InChIKey of (3E)-N-butylhexa-3,5-dien-1-amine?
The InChIKey is USGKJARNVPTLMY-FNORWQNLSA-N. The full InChI is InChI=1S/C10H19N/c1-3-5-7-8-10-11-9-6-4-2/h3,5,7,11H,1,4,6,8-10H2,2H3/b7-5+.
What are the key properties of (3E)-N-butylhexa-3,5-dien-1-amine?
(3E)-N-butylhexa-3,5-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-butylhexa-3,5-dien-1-amine is sourced from PubChem (CID 59529047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).