N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine

C10H18F3N — CID 21034320

IUPACN-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyVEROOVSBVYZNJT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.11
Rot. Bonds2

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

N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 21034320) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID21034320
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyVEROOVSBVYZNJT-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine (CID 21034320) is N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VEROOVSBVYZNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine?
N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 21034320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).