(3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine

C14H23F2N — CID 138527474

IUPAC(3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine
SMILESC=C(CC(C)C)/C(=C\C=C(\N)CC)C(C)(F)F
InChIInChI=1S/C14H23F2N/c1-6-12(17)7-8-13(14(5,15)16)11(4)9-10(2)3/h7-8,10H,4,6,9,17H2,1-3,5H3/b12-7+,13-8+
InChIKeyIBYJZFBZNALSAW-INOXDZRUSA-N
MW243.34 g/mol
LogP4.42
Rot. Bonds6

About (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine

(3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine (PubChem CID 138527474) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine
PubChem CID138527474
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name(3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine
SMILESC=C(CC(C)C)/C(=C\C=C(\N)CC)C(C)(F)F
InChIInChI=1S/C14H23F2N/c1-6-12(17)7-8-13(14(5,15)16)11(4)9-10(2)3/h7-8,10H,4,6,9,17H2,1-3,5H3/b12-7+,13-8+
InChIKeyIBYJZFBZNALSAW-INOXDZRUSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine (CID 138527474) is (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine is C=C(CC(C)C)/C(=C\C=C(\N)CC)C(C)(F)F.
What is the InChIKey of (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine?
The InChIKey is IBYJZFBZNALSAW-INOXDZRUSA-N. The full InChI is InChI=1S/C14H23F2N/c1-6-12(17)7-8-13(14(5,15)16)11(4)9-10(2)3/h7-8,10H,4,6,9,17H2,1-3,5H3/b12-7+,13-8+.
What are the key properties of (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine?
(3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine has a molecular weight of 243.34 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine is sourced from PubChem (CID 138527474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).