N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine

C13H24N4 — CID 114252231

IUPACN-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NCC2(N)CCCC(C)C2)n1
InChIInChI=1S/C13H24N4/c1-3-17-8-6-12(16-17)15-10-13(14)7-4-5-11(2)9-13/h6,8,11H,3-5,7,9-10,14H2,1-2H3,(H,15,16)
InChIKeyNOVZUOIUBRZHBC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.22
Rot. Bonds4

About N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine

N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine (PubChem CID 114252231) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine
PubChem CID114252231
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NCC2(N)CCCC(C)C2)n1
InChIInChI=1S/C13H24N4/c1-3-17-8-6-12(16-17)15-10-13(14)7-4-5-11(2)9-13/h6,8,11H,3-5,7,9-10,14H2,1-2H3,(H,15,16)
InChIKeyNOVZUOIUBRZHBC-UHFFFAOYSA-N
XLogP2.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568920
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
N-[(1-amino-3-methylcyclohexyl)methyl]-N-ethyl-2-fluoroaniline
CID 64555317
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716
3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 64553638
1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
CID 130496222
N-cyclohex-2-en-1-yl-1-ethylpyrazol-3-amine
CID 130496240
1-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-methylcyclohexan-1-amine
CID 114547425
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 104735858

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine?
The IUPAC name of N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine (CID 114252231) is N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine.
What is the SMILES notation for N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine?
The canonical SMILES for N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine is CCn1ccc(NCC2(N)CCCC(C)C2)n1.
What is the InChIKey of N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine?
The InChIKey is NOVZUOIUBRZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17-8-6-12(16-17)15-10-13(14)7-4-5-11(2)9-13/h6,8,11H,3-5,7,9-10,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine?
N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine has a molecular weight of 236.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-3-methylcyclohexyl)methyl]-1-ethylpyrazol-3-amine is sourced from PubChem (CID 114252231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).