[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine

C13H24N4 — CID 107059071

IUPAC[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
SMILESCn1cc(CC2CC(C)(C)CCC2CN)nn1
InChIInChI=1S/C13H24N4/c1-13(2)5-4-10(8-14)11(7-13)6-12-9-17(3)16-15-12/h9-11H,4-8,14H2,1-3H3
InChIKeyBCMQCJXBJFCDBF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.76
Rot. Bonds3

About [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine

[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine (PubChem CID 107059071) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
PubChem CID107059071
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
SMILESCn1cc(CC2CC(C)(C)CCC2CN)nn1
InChIInChI=1S/C13H24N4/c1-13(2)5-4-10(8-14)11(7-13)6-12-9-17(3)16-15-12/h9-11H,4-8,14H2,1-3H3
InChIKeyBCMQCJXBJFCDBF-UHFFFAOYSA-N
XLogP1.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine (CID 107059071) is [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine is Cn1cc(CC2CC(C)(C)CCC2CN)nn1.
What is the InChIKey of [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
The InChIKey is BCMQCJXBJFCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-13(2)5-4-10(8-14)11(7-13)6-12-9-17(3)16-15-12/h9-11H,4-8,14H2,1-3H3.
What are the key properties of [4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.76, 3 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]cyclohexyl]methanamine is sourced from PubChem (CID 107059071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).