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

C13H24N4 — CID 107059268

IUPACN-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1Cc1cn(C)nn1
InChIInChI=1S/C13H24N4/c1-10-4-5-11(8-14-2)12(6-10)7-13-9-17(3)16-15-13/h9-12,14H,4-8H2,1-3H3
InChIKeyLCSGWZYUCCTNMJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds4

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

N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine (PubChem CID 107059268) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
PubChem CID107059268
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1Cc1cn(C)nn1
InChIInChI=1S/C13H24N4/c1-10-4-5-11(8-14-2)12(6-10)7-13-9-17(3)16-15-13/h9-12,14H,4-8H2,1-3H3
InChIKeyLCSGWZYUCCTNMJ-UHFFFAOYSA-N
XLogP1.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(1-methyltriazol-4-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 107059337
2-methyl-3-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-ol
CID 107055028
N-methyl-1-[2-(1-methyltriazol-4-yl)cyclopropyl]methanamine
CID 130599121
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
CID 107054887
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026193
N-methyl-1-[2-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexyl]methanamine
CID 82882340
2,4-dimethyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107046074
1-[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 81026182
4-ethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058992
3-methyl-N-[(1-methyltriazol-4-yl)methyl]cyclobutan-1-amine
CID 115671466
1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 82934724

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine (CID 107059268) is N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine is CNCC1CCC(C)CC1Cc1cn(C)nn1.
What is the InChIKey of N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
The InChIKey is LCSGWZYUCCTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-4-5-11(8-14-2)12(6-10)7-13-9-17(3)16-15-13/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine?
N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 107059268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).