N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C13H22F3N — CID 102609637

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1(C)CC1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3N/c1-12(2)7-10(12)8-17-11-5-3-4-9(6-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyQYGMLEIHYUATFY-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.74
Rot. Bonds3

About N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 102609637) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID102609637
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1(C)CC1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3N/c1-12(2)7-10(12)8-17-11-5-3-4-9(6-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyQYGMLEIHYUATFY-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
CID 103699452
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
cis-(1S,3R)-N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 99827879
4,4-dimethyl-1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 65115300
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758375
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947
3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
CID 64759598
N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 119043940

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 102609637) is N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is CC1(C)CC1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QYGMLEIHYUATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-12(2)7-10(12)8-17-11-5-3-4-9(6-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 102609637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).