N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine

C14H21F2N3 — CID 86799407

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine
SMILESCC1=CCCC(C)C1CNCc1nccn1C(F)F
InChIInChI=1S/C14H21F2N3/c1-10-4-3-5-11(2)12(10)8-17-9-13-18-6-7-19(13)14(15)16/h4,6-7,11-12,14,17H,3,5,8-9H2,1-2H3
InChIKeyFJIWBWQJRIOODX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.36
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine (PubChem CID 86799407) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine
PubChem CID86799407
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine
SMILESCC1=CCCC(C)C1CNCc1nccn1C(F)F
InChIInChI=1S/C14H21F2N3/c1-10-4-3-5-11(2)12(10)8-17-9-13-18-6-7-19(13)14(15)16/h4,6-7,11-12,14,17H,3,5,8-9H2,1-2H3
InChIKeyFJIWBWQJRIOODX-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine (CID 86799407) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine is CC1=CCCC(C)C1CNCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine?
The InChIKey is FJIWBWQJRIOODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-10-4-3-5-11(2)12(10)8-17-9-13-18-6-7-19(13)14(15)16/h4,6-7,11-12,14,17H,3,5,8-9H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine has a molecular weight of 269.34 g/mol, XLogP of 3.36, 5 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]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 86799407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).