N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

C13H25F3N2 — CID 79644859

IUPACN',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-12(2,8-17)9-18(3)11-6-4-5-10(7-11)13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyYNSANUOLMJRPSZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.02
Rot. Bonds4

About N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (PubChem CID 79644859) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
PubChem CID79644859
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESCN(CC(C)(C)CN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-12(2,8-17)9-18(3)11-6-4-5-10(7-11)13(14,15)16/h10-11H,4-9,17H2,1-3H3
InChIKeyYNSANUOLMJRPSZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine
CID 115317208
N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine
CID 115204377
N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757824
N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79645337
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
1-N,4-N-dimethyl-4-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1,4-diamine
CID 79110275
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
N-(3-amino-2,2-dimethylpropyl)-2-cyclobutyl-N-methylacetamide
CID 103807677
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 107171989
N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119583364
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (CID 79644859) is N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is CN(CC(C)(C)CN)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The InChIKey is YNSANUOLMJRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-12(2,8-17)9-18(3)11-6-4-5-10(7-11)13(14,15)16/h10-11H,4-9,17H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[3-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is sourced from PubChem (CID 79644859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).