N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine

C13H21F2N3 — CID 81421183

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(NCc2nccn2C(F)F)C1
InChIInChI=1S/C13H21F2N3/c1-13(2)5-3-4-10(8-13)17-9-11-16-6-7-18(11)12(14)15/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyYSYRXPNEOQBDFA-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 81421183) 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]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID81421183
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(NCc2nccn2C(F)F)C1
InChIInChI=1S/C13H21F2N3/c1-13(2)5-3-4-10(8-13)17-9-11-16-6-7-18(11)12(14)15/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyYSYRXPNEOQBDFA-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine (CID 81421183) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine is CC1(C)CCCC(NCc2nccn2C(F)F)C1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is YSYRXPNEOQBDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-13(2)5-3-4-10(8-13)17-9-11-16-6-7-18(11)12(14)15/h6-7,10,12,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81421183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).