(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine

C12H22FN — CID 170100735

IUPAC(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine
SMILESC/C=C(\C=C/CCCNC)C(C)(C)F
InChIInChI=1S/C12H22FN/c1-5-11(12(2,3)13)9-7-6-8-10-14-4/h5,7,9,14H,6,8,10H2,1-4H3/b9-7-,11-5+
InChIKeyJEVCYQZQQNHKJJ-QSTITTEPSA-N
MW199.31 g/mol
LogP3.24
Rot. Bonds6

About (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine

(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine (PubChem CID 170100735) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine
PubChem CID170100735
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine
SMILESC/C=C(\C=C/CCCNC)C(C)(C)F
InChIInChI=1S/C12H22FN/c1-5-11(12(2,3)13)9-7-6-8-10-14-4/h5,7,9,14H,6,8,10H2,1-4H3/b9-7-,11-5+
InChIKeyJEVCYQZQQNHKJJ-QSTITTEPSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.24
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'}

Analyze (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-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 (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine?
The IUPAC name of (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine (CID 170100735) is (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine?
The canonical SMILES for (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine is C/C=C(\C=C/CCCNC)C(C)(C)F.
What is the InChIKey of (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine?
The InChIKey is JEVCYQZQQNHKJJ-QSTITTEPSA-N. The full InChI is InChI=1S/C12H22FN/c1-5-11(12(2,3)13)9-7-6-8-10-14-4/h5,7,9,14H,6,8,10H2,1-4H3/b9-7-,11-5+.
What are the key properties of (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine?
(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine is sourced from PubChem (CID 170100735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).