N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H21F3N2 — CID 163711702

IUPACN'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(CCN)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-9-4-2-3-5-10(9)16(7-6-15)8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyKJUWZEBWSYGGQT-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds4

About N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 163711702) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID163711702
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(CCN)CC(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-9-4-2-3-5-10(9)16(7-6-15)8-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyKJUWZEBWSYGGQT-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-[(Diethylamino)methyl]cyclohexan-1-amine
CID 23009041
(2-Amino-1-cyclohexylethyl)dimethylamine
CID 16228005
[(2S)-2-amino-2-cyclohexylethyl]dimethylamine
CID 58598201
rac-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
(3S)-1-(cyclohexylmethyl)-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 51633656
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 99600173
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 119043952
N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 21034320
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 24705824
N-(2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434609

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 163711702) is N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC1CCCCC1N(CCN)CC(F)(F)F.
What is the InChIKey of N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is KJUWZEBWSYGGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9-4-2-3-5-10(9)16(7-6-15)8-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 163711702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).