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

C15H26F2N4 — CID 61211741

IUPAC1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCc2nccn2C(F)F)(N(C)C)C1
InChIInChI=1S/C15H26F2N4/c1-12-5-4-6-15(9-12,20(2)3)11-18-10-13-19-7-8-21(13)14(16)17/h7-8,12,14,18H,4-6,9-11H2,1-3H3
InChIKeyOIPHJWIZUZQOOG-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.88
Rot. Bonds6

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

1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 61211741) has the molecular formula C15H26F2N4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID61211741
Molecular FormulaC15H26F2N4
Molecular Weight300.40 g/mol
Exact Mass300.21
IUPAC Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNCc2nccn2C(F)F)(N(C)C)C1
InChIInChI=1S/C15H26F2N4/c1-12-5-4-6-15(9-12,20(2)3)11-18-10-13-19-7-8-21(13)14(16)17/h7-8,12,14,18H,4-6,9-11H2,1-3H3
InChIKeyOIPHJWIZUZQOOG-UHFFFAOYSA-N
XLogP2.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 61211741) is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(CNCc2nccn2C(F)F)(N(C)C)C1.
What is the InChIKey of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is OIPHJWIZUZQOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N4/c1-12-5-4-6-15(9-12,20(2)3)11-18-10-13-19-7-8-21(13)14(16)17/h7-8,12,14,18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 61211741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).