(4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine

C16H27F2N — CID 167083081

IUPAC(4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine
SMILESC=C(CC(C)C)/C(=C\C=C(\N)C(C)CC)C(C)(F)F
InChIInChI=1S/C16H27F2N/c1-7-12(4)15(19)9-8-14(16(6,17)18)13(5)10-11(2)3/h8-9,11-12H,5,7,10,19H2,1-4,6H3/b14-8+,15-9+
InChIKeyMCKVZSUWUYGXKF-VOMDNODZSA-N
MW271.39 g/mol
LogP5.06
Rot. Bonds7

About (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine

(4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine (PubChem CID 167083081) has the molecular formula C16H27F2N and a molecular weight of 271.39 g/mol. Its IUPAC name is (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine.

Molecular Properties

Compound Name(4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine
PubChem CID167083081
Molecular FormulaC16H27F2N
Molecular Weight271.39 g/mol
Exact Mass271.21
IUPAC Name(4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine
SMILESC=C(CC(C)C)/C(=C\C=C(\N)C(C)CC)C(C)(F)F
InChIInChI=1S/C16H27F2N/c1-7-12(4)15(19)9-8-14(16(6,17)18)13(5)10-11(2)3/h8-9,11-12H,5,7,10,19H2,1-4,6H3/b14-8+,15-9+
InChIKeyMCKVZSUWUYGXKF-VOMDNODZSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-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 (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine?
The IUPAC name of (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine (CID 167083081) is (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine.
What is the SMILES notation for (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine?
The canonical SMILES for (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine is C=C(CC(C)C)/C(=C\C=C(\N)C(C)CC)C(C)(F)F.
What is the InChIKey of (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine?
The InChIKey is MCKVZSUWUYGXKF-VOMDNODZSA-N. The full InChI is InChI=1S/C16H27F2N/c1-7-12(4)15(19)9-8-14(16(6,17)18)13(5)10-11(2)3/h8-9,11-12H,5,7,10,19H2,1-4,6H3/b14-8+,15-9+.
What are the key properties of (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine?
(4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine has a molecular weight of 271.39 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-(1,1-difluoroethyl)-3,10-dimethyl-8-methylideneundeca-4,6-dien-4-amine is sourced from PubChem (CID 167083081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).