(1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine

C11H19N — CID 89313204

IUPAC(1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C/NCCCC
InChIInChI=1S/C11H19N/c1-4-6-9-12-10-8-11(3)7-5-2/h5,7-8,10,12H,2,4,6,9H2,1,3H3/b10-8-,11-7-
InChIKeyLFUNHVFRXKCWQD-ACBQZUGDSA-N
MW165.28 g/mol
LogP3.02
Rot. Bonds6

About (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine (PubChem CID 89313204) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine
PubChem CID89313204
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C/NCCCC
InChIInChI=1S/C11H19N/c1-4-6-9-12-10-8-11(3)7-5-2/h5,7-8,10,12H,2,4,6,9H2,1,3H3/b10-8-,11-7-
InChIKeyLFUNHVFRXKCWQD-ACBQZUGDSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.02
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 (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine (CID 89313204) is (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine is C=C/C=C(C)\C=C/NCCCC.
What is the InChIKey of (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine?
The InChIKey is LFUNHVFRXKCWQD-ACBQZUGDSA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-9-12-10-8-11(3)7-5-2/h5,7-8,10,12H,2,4,6,9H2,1,3H3/b10-8-,11-7-.
What are the key properties of (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89313204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).