N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

C13H22F3N — CID 64917573

IUPACN-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(NC1CCCC(C(F)(F)F)C1)C1CC1
InChIInChI=1S/C13H22F3N/c1-2-12(9-6-7-9)17-11-5-3-4-10(8-11)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyQNFQVJOVAGHAPL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.89
Rot. Bonds4

About N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64917573) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64917573
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(NC1CCCC(C(F)(F)F)C1)C1CC1
InChIInChI=1S/C13H22F3N/c1-2-12(9-6-7-9)17-11-5-3-4-10(8-11)13(14,15)16/h9-12,17H,2-8H2,1H3
InChIKeyQNFQVJOVAGHAPL-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(1-cyclopropylpropyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115726743
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
N-(1-cyclobutylpropyl)cyclopropanamine
CID 83682011
N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 106023449
N-(1-cyclohexylpropyl)-3-cyclopropylcyclohexan-1-amine
CID 64622957
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
CID 64759598

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64917573) is N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is CCC(NC1CCCC(C(F)(F)F)C1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QNFQVJOVAGHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-2-12(9-6-7-9)17-11-5-3-4-10(8-11)13(14,15)16/h9-12,17H,2-8H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64917573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).