N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine

C17H28F3N — CID 162582249

IUPACN-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine
SMILESCCC(/N=C(\C)C(C)C)=C(\C)C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C17H28F3N/c1-6-15(21-13(5)11(2)3)12(4)16(17(18,19)20)14-9-7-8-10-14/h11,14,16H,6-10H2,1-5H3/b15-12-,21-13+
InChIKeyPWAVPXGYUSMLPH-IALJSVHUSA-N
MW303.41 g/mol
LogP6.16
Rot. Bonds5

About N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine

N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine (PubChem CID 162582249) has the molecular formula C17H28F3N and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine
PubChem CID162582249
Molecular FormulaC17H28F3N
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC NameN-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine
SMILESCCC(/N=C(\C)C(C)C)=C(\C)C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C17H28F3N/c1-6-15(21-13(5)11(2)3)12(4)16(17(18,19)20)14-9-7-8-10-14/h11,14,16H,6-10H2,1-5H3/b15-12-,21-13+
InChIKeyPWAVPXGYUSMLPH-IALJSVHUSA-N
XLogP6.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine?
The IUPAC name of N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine (CID 162582249) is N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine?
The canonical SMILES for N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine is CCC(/N=C(\C)C(C)C)=C(\C)C(C1CCCC1)C(F)(F)F.
What is the InChIKey of N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine?
The InChIKey is PWAVPXGYUSMLPH-IALJSVHUSA-N. The full InChI is InChI=1S/C17H28F3N/c1-6-15(21-13(5)11(2)3)12(4)16(17(18,19)20)14-9-7-8-10-14/h11,14,16H,6-10H2,1-5H3/b15-12-,21-13+.
What are the key properties of N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine?
N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine has a molecular weight of 303.41 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-cyclopentyl-6,6,6-trifluoro-4-methylhex-3-en-3-yl]-3-methylbutan-2-imine is sourced from PubChem (CID 162582249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).