N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

C12H20F3N — CID 104844790

IUPACN-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-3-4-9(2)16-11-7-5-10(6-8-11)12(13,14)15/h3,9-11,16H,1,4-8H2,2H3
InChIKeyPUJVXMIYAFWOET-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.66
Rot. Bonds4

About N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844790) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844790
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N/c1-3-4-9(2)16-11-7-5-10(6-8-11)12(13,14)15/h3,9-11,16H,1,4-8H2,2H3
InChIKeyPUJVXMIYAFWOET-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.66
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-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844790) is N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is C=CCC(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PUJVXMIYAFWOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-3-4-9(2)16-11-7-5-10(6-8-11)12(13,14)15/h3,9-11,16H,1,4-8H2,2H3.
What are the key properties of N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).