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

C11H20N4 — CID 115891216

IUPAC2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C)n[nH]1
InChIInChI=1S/C11H20N4/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)14-15-11/h8,10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyBHWXXKADPLCPIE-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.78
Rot. Bonds3

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

2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 115891216) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID115891216
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C)n[nH]1
InChIInChI=1S/C11H20N4/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)14-15-11/h8,10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyBHWXXKADPLCPIE-UHFFFAOYSA-N
XLogP1.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 115891208
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 104530567
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-amine
CID 107042493
3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115685704
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 63278046
cis-(1R,2S)-2-methyl-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclohexan-1-amine
CID 99716030
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopentan-1-amine
CID 106392392
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 94247341
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 103931523
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 115891216) is 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is Cc1nc(CNC2CCCCC2C)n[nH]1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is BHWXXKADPLCPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)14-15-11/h8,10,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115891216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).