N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

C13H21F2N3 — CID 75405379

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nccn1C(F)F
InChIInChI=1S/C13H21F2N3/c1-10-5-3-4-6-11(10)17(2)9-12-16-7-8-18(12)13(14)15/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyBLTRZMQZVGYLGZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.29
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 75405379) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID75405379
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nccn1C(F)F
InChIInChI=1S/C13H21F2N3/c1-10-5-3-4-6-11(10)17(2)9-12-16-7-8-18(12)13(14)15/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyBLTRZMQZVGYLGZ-UHFFFAOYSA-N
XLogP3.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexylmethylimidazole
CID 20148465
1,2-Dicyclohexylimidazole
CID 22168995
1-Butyl-3-[2-(tridecafluorohexyl)ethyl]-1H-imidazole-3-ium
CID 16218769
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
CID 95827895
1-(2-Cyclopentyl-3,3,3-trifluoropropyl)imidazole
CID 44210336
3-(1-methyl-1H-imidazol-2-yl)cyclohexan-1-amine dihydrochloride
CID 155820680
N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 129340757
1,3-Bis(4-fluorocyclohexyl)imidazol-1-ium
CID 134963055
1-ethyl-2-{[(S)-2-methyl-1-piperidyl]methyl}imidazole
CID 99844682
1-heptyl-2-methyl-1H-imidazole
CID 10375042
2-Methyl-1-(2-propyloctyl)imidazole
CID 129095576

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 75405379) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is BLTRZMQZVGYLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-10-5-3-4-6-11(10)17(2)9-12-16-7-8-18(12)13(14)15/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 75405379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).