N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2 — CID 64758375

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN1CCCC1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-2-19-8-4-7-13(19)10-18-12-6-3-5-11(9-12)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyWGSVVGLTKNBNCA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758375) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758375
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN1CCCC1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3N2/c1-2-19-8-4-7-13(19)10-18-12-6-3-5-11(9-12)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyWGSVVGLTKNBNCA-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine
CID 95376229
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine
CID 65071094
1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 43179038
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 79725125
N-[(1-ethylpiperidin-2-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635319
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 113226535
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758375) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is CCN1CCCC1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WGSVVGLTKNBNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-19-8-4-7-13(19)10-18-12-6-3-5-11(9-12)14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).