3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

C13H24N4 — CID 103884313

IUPAC3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(NCc2ncn(C)n2)CC(C)(C)C1
InChIInChI=1S/C13H24N4/c1-10-5-11(7-13(2,3)6-10)14-8-12-15-9-17(4)16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyZAKOLTPQSPRPKA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.12
Rot. Bonds3

About 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 103884313) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID103884313
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(NCc2ncn(C)n2)CC(C)(C)C1
InChIInChI=1S/C13H24N4/c1-10-5-11(7-13(2,3)6-10)14-8-12-15-9-17(4)16-12/h9-11,14H,5-8H2,1-4H3
InChIKeyZAKOLTPQSPRPKA-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 115572657
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162
2,4,4-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 106662637
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
3,3-dimethyl-N-(pyrimidin-2-ylmethyl)cyclobutan-1-amine
CID 130820453
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
CID 103907068
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115881375
1-cyano-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 113345657
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694448

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 103884313) is 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is CC1CC(NCc2ncn(C)n2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is ZAKOLTPQSPRPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-5-11(7-13(2,3)6-10)14-8-12-15-9-17(4)16-12/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103884313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).