(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine

C19H30FN — CID 166662523

IUPAC(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
SMILES[H]/N=C(C(\C=C(\C)CF)=C(/C)C=C)/C1CCCC1(C)CCC
InChIInChI=1S/C19H30FN/c1-6-10-19(5)11-8-9-17(19)18(21)16(15(4)7-2)12-14(3)13-20/h7,12,17,21H,2,6,8-11,13H2,1,3-5H3/b14-12-,16-15+,21-18+
InChIKeyIMDHCCRXZXALCN-HUACYXMTSA-N
MW291.45 g/mol
LogP6.03
Rot. Bonds7

About (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine

(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine (PubChem CID 166662523) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
PubChem CID166662523
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine
SMILES[H]/N=C(C(\C=C(\C)CF)=C(/C)C=C)/C1CCCC1(C)CCC
InChIInChI=1S/C19H30FN/c1-6-10-19(5)11-8-9-17(19)18(21)16(15(4)7-2)12-14(3)13-20/h7,12,17,21H,2,6,8-11,13H2,1,3-5H3/b14-12-,16-15+,21-18+
InChIKeyIMDHCCRXZXALCN-HUACYXMTSA-N
XLogP6.03
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine (CID 166662523) is (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine is [H]/N=C(C(\C=C(\C)CF)=C(/C)C=C)/C1CCCC1(C)CCC.
What is the InChIKey of (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine?
The InChIKey is IMDHCCRXZXALCN-HUACYXMTSA-N. The full InChI is InChI=1S/C19H30FN/c1-6-10-19(5)11-8-9-17(19)18(21)16(15(4)7-2)12-14(3)13-20/h7,12,17,21H,2,6,8-11,13H2,1,3-5H3/b14-12-,16-15+,21-18+.
What are the key properties of (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine?
(2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine has a molecular weight of 291.45 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-1-(2-methyl-2-propylcyclopentyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 166662523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).