N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine

C12H22N4 — CID 103568920

IUPACN-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine
SMILESCC1CCCC(N)(CNc2cnn(C)c2)C1
InChIInChI=1S/C12H22N4/c1-10-4-3-5-12(13,6-10)9-14-11-7-15-16(2)8-11/h7-8,10,14H,3-6,9,13H2,1-2H3
InChIKeyYHFYSYOWMLBHCN-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.74
Rot. Bonds3

About N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine

N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 103568920) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine
PubChem CID103568920
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine
SMILESCC1CCCC(N)(CNc2cnn(C)c2)C1
InChIInChI=1S/C12H22N4/c1-10-4-3-5-12(13,6-10)9-14-11-7-15-16(2)8-11/h7-8,10,14H,3-6,9,13H2,1-2H3
InChIKeyYHFYSYOWMLBHCN-UHFFFAOYSA-N
XLogP1.74
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine (CID 103568920) is N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine is CC1CCCC(N)(CNc2cnn(C)c2)C1.
What is the InChIKey of N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is YHFYSYOWMLBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-4-3-5-12(13,6-10)9-14-11-7-15-16(2)8-11/h7-8,10,14H,3-6,9,13H2,1-2H3.
What are the key properties of N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine?
N-[(1-amino-3-methylcyclohexyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.74, 3 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-methylpyrazol-4-amine is sourced from PubChem (CID 103568920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).