N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N — CID 43434610

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C14H22F3N/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-2,11-13,18H,3-10H2
InChIKeyKACAPNKZKPBNEE-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.05
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434610) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434610
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCC2CC=CCC2)CC1
InChIInChI=1S/C14H22F3N/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-2,11-13,18H,3-10H2
InChIKeyKACAPNKZKPBNEE-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
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 N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 43434610) is N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCC2CC=CCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KACAPNKZKPBNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-2,11-13,18H,3-10H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).