1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine

C9H17F3N2 — CID 154017947

IUPAC1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCNC1(C)CC(C(F)(F)F)CCC1N
InChIInChI=1S/C9H17F3N2/c1-8(14-2)5-6(9(10,11)12)3-4-7(8)13/h6-7,14H,3-5,13H2,1-2H3
InChIKeyNTDBHKCYUQLKLI-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.65
Rot. Bonds1

About 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine

1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine (PubChem CID 154017947) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine
PubChem CID154017947
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCNC1(C)CC(C(F)(F)F)CCC1N
InChIInChI=1S/C9H17F3N2/c1-8(14-2)5-6(9(10,11)12)3-4-7(8)13/h6-7,14H,3-5,13H2,1-2H3
InChIKeyNTDBHKCYUQLKLI-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4R)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429401
(1S,2S,4R)-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429413
(1S,2S,4S)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429419
(1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429422
(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,2-N-dimethyl-1-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429432
(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
(1S,2S,4S)-2-N-cyclobutyl-2-N-methyl-1-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429457
(1S,2S,4S)-2-N-(azetidin-3-yl)-1-N-tert-butyl-2-N-methyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429479
(1S,2S)-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429739
(1S,2S,4S)-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134429785

Frequently Asked Questions

What is the IUPAC name of 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine (CID 154017947) is 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine is CNC1(C)CC(C(F)(F)F)CCC1N.
What is the InChIKey of 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine?
The InChIKey is NTDBHKCYUQLKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(14-2)5-6(9(10,11)12)3-4-7(8)13/h6-7,14H,3-5,13H2,1-2H3.
What are the key properties of 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine?
1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-dimethyl-5-(trifluoromethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 154017947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).