4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

C12H22N4 — CID 107059021

IUPAC4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CC2CC(C)(C)CCC2N)nn1
InChIInChI=1S/C12H22N4/c1-12(2)5-4-11(13)9(7-12)6-10-8-16(3)15-14-10/h8-9,11H,4-7,13H2,1-3H3
InChIKeyVIFGKKPVQYMDFS-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.51
Rot. Bonds2

About 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine

4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 107059021) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID107059021
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CC2CC(C)(C)CCC2N)nn1
InChIInChI=1S/C12H22N4/c1-12(2)5-4-11(13)9(7-12)6-10-8-16(3)15-14-10/h8-9,11H,4-7,13H2,1-3H3
InChIKeyVIFGKKPVQYMDFS-UHFFFAOYSA-N
XLogP1.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059071
2-methyl-3-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-ol
CID 107055028
2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013040
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013682
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
4-[(4-bromothiolan-3-yl)methyl]-1-methyltriazole
CID 107052461
4-[(4-chlorothiolan-3-yl)methyl]-1-methyltriazole
CID 107052459
2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014857
2-ethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107046702
N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059268
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 81014967

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine (CID 107059021) is 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is Cn1cc(CC2CC(C)(C)CCC2N)nn1.
What is the InChIKey of 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is VIFGKKPVQYMDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-12(2)5-4-11(13)9(7-12)6-10-8-16(3)15-14-10/h8-9,11H,4-7,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107059021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).