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

C11H21N — CID 90250350

IUPAC(3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C\CCN(C)CCCC
InChIInChI=1S/C11H21N/c1-4-6-8-9-11-12(3)10-7-5-2/h4,6,8H,1,5,7,9-11H2,2-3H3/b8-6-
InChIKeyLXLOGNXIMGXWQV-VURMDHGXSA-N
MW167.30 g/mol
LogP2.85
Rot. Bonds7

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

(3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine (PubChem CID 90250350) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine
PubChem CID90250350
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine
SMILESC=C/C=C\CCN(C)CCCC
InChIInChI=1S/C11H21N/c1-4-6-8-9-11-12(3)10-7-5-2/h4,6,8H,1,5,7,9-11H2,2-3H3/b8-6-
InChIKeyLXLOGNXIMGXWQV-VURMDHGXSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine (CID 90250350) is (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine is C=C/C=C\CCN(C)CCCC.
What is the InChIKey of (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine?
The InChIKey is LXLOGNXIMGXWQV-VURMDHGXSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-8-9-11-12(3)10-7-5-2/h4,6,8H,1,5,7,9-11H2,2-3H3/b8-6-.
What are the key properties of (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine?
(3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-butyl-N-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 90250350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).