1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C11H21F3N2 — CID 60890978

IUPAC1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-9-4-3-5-10(6-9,7-15)16(2)8-11(12,13)14/h9H,3-8,15H2,1-2H3
InChIKeyNVHIHQFBOZAUOI-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds3

About 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 60890978) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID60890978
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-9-4-3-5-10(6-9,7-15)16(2)8-11(12,13)14/h9H,3-8,15H2,1-2H3
InChIKeyNVHIHQFBOZAUOI-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4,4-difluoro-N,N-dimethylcyclohexan-1-amine
CID 117626887
(1R,2R,4R)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429401
(1S,2S,4S)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429419
(1S,2S,4R)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429431
(1R,2R,4S)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429435
(1S,2S,4S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429436
1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
CID 134567032
(1S,2S,4R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 146526669
1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine
CID 154017947
N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 163711702
2-Ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43173293
[4-Ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 43362667

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 60890978) is 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC1CCCC(CN)(N(C)CC(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is NVHIHQFBOZAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9-4-3-5-10(6-9,7-15)16(2)8-11(12,13)14/h9H,3-8,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 60890978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).