2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine

C16H29N3 — CID 64774281

IUPAC2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C2CCC(C)CC2)cc1CNC(C)(C)C
InChIInChI=1S/C16H29N3/c1-12-6-8-15(9-7-12)19-11-14(13(2)18-19)10-17-16(3,4)5/h11-12,15,17H,6-10H2,1-5H3
InChIKeyYVGGUDTYPMDKTH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 64774281) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID64774281
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C2CCC(C)CC2)cc1CNC(C)(C)C
InChIInChI=1S/C16H29N3/c1-12-6-8-15(9-7-12)19-11-14(13(2)18-19)10-17-16(3,4)5/h11-12,15,17H,6-10H2,1-5H3
InChIKeyYVGGUDTYPMDKTH-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methanesulfonamide
CID 165484245
2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103140628
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 132585916
2-[(1-cyclopentyl-3-methylpyrazol-4-yl)methylamino]ethanol
CID 122166396
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167953
1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
CID 112712664
[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanamine
CID 122532995
N-[[1-(3,5-dimethylcyclohexyl)-3-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 64730951
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
2-(1-cyclobutyl-3-methylpyrazol-4-yl)acetic acid
CID 112712810
2-(1-cyclopentyl-3-methylpyrazol-4-yl)ethanamine
CID 83878558
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126966176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine (CID 64774281) is 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(C2CCC(C)CC2)cc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is YVGGUDTYPMDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12-6-8-15(9-7-12)19-11-14(13(2)18-19)10-17-16(3,4)5/h11-12,15,17H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 64774281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).