(Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine

C19H32FN — CID 154939645

IUPAC(Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine
SMILESC=CN(C)C(C)C/C(=C/C)C1CCC(C)C(F)C1C(=C)C
InChIInChI=1S/C19H32FN/c1-8-16(12-15(6)21(7)9-2)17-11-10-14(5)19(20)18(17)13(3)4/h8-9,14-15,17-19H,2-3,10-12H2,1,4-7H3/b16-8-
InChIKeyIRDILQKWMCMNDN-PXNMLYILSA-N
MW293.47 g/mol
LogP5.36
Rot. Bonds6

About (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine

(Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine (PubChem CID 154939645) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine
PubChem CID154939645
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC Name(Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine
SMILESC=CN(C)C(C)C/C(=C/C)C1CCC(C)C(F)C1C(=C)C
InChIInChI=1S/C19H32FN/c1-8-16(12-15(6)21(7)9-2)17-11-10-14(5)19(20)18(17)13(3)4/h8-9,14-15,17-19H,2-3,10-12H2,1,4-7H3/b16-8-
InChIKeyIRDILQKWMCMNDN-PXNMLYILSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine?
The IUPAC name of (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine (CID 154939645) is (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine.
What is the SMILES notation for (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine?
The canonical SMILES for (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine is C=CN(C)C(C)C/C(=C/C)C1CCC(C)C(F)C1C(=C)C.
What is the InChIKey of (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine?
The InChIKey is IRDILQKWMCMNDN-PXNMLYILSA-N. The full InChI is InChI=1S/C19H32FN/c1-8-16(12-15(6)21(7)9-2)17-11-10-14(5)19(20)18(17)13(3)4/h8-9,14-15,17-19H,2-3,10-12H2,1,4-7H3/b16-8-.
What are the key properties of (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine?
(Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine has a molecular weight of 293.47 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-4-(3-fluoro-4-methyl-2-prop-1-en-2-ylcyclohexyl)-N-methylhex-4-en-2-amine is sourced from PubChem (CID 154939645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).