N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine

C13H23N3 — CID 79578616

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCc1c(CNC2CCCCC2C)cnn1C
InChIInChI=1S/C13H23N3/c1-10-6-4-5-7-13(10)14-8-12-9-15-16(3)11(12)2/h9-10,13-14H,4-8H2,1-3H3
InChIKeyRGPIDWGFQOQPJT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.40
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 79578616) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
PubChem CID79578616
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCc1c(CNC2CCCCC2C)cnn1C
InChIInChI=1S/C13H23N3/c1-10-6-4-5-7-13(10)14-8-12-9-15-16(3)11(12)2/h9-10,13-14H,4-8H2,1-3H3
InChIKeyRGPIDWGFQOQPJT-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
3-[(1,5-dimethylpyrazol-4-yl)methylamino]azepan-2-one
CID 79578454
N-[2-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 115702967
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 79578467
(1R)-1-cycloheptyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81392354
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 103859312
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79578518
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79578829

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine (CID 79578616) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine is Cc1c(CNC2CCCCC2C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is RGPIDWGFQOQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-6-4-5-7-13(10)14-8-12-9-15-16(3)11(12)2/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 79578616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).