2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

C12H21N3 — CID 62127317

IUPAC2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-10-5-3-4-6-12(10,13)7-11-8-14-15(2)9-11/h8-10H,3-7,13H2,1-2H3
InChIKeyMNJNIWNQYBBEBY-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62127317) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID62127317
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCCC1(N)Cc1cnn(C)c1
InChIInChI=1S/C12H21N3/c1-10-5-3-4-6-12(10,13)7-11-8-14-15(2)9-11/h8-10H,3-7,13H2,1-2H3
InChIKeyMNJNIWNQYBBEBY-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 62127317) is 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is CC1CCCCC1(N)Cc1cnn(C)c1.
What is the InChIKey of 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is MNJNIWNQYBBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-5-3-4-6-12(10,13)7-11-8-14-15(2)9-11/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62127317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).