5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

C16H29N3 — CID 104629202

IUPAC5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCc2ccn(C)n2)C1
InChIInChI=1S/C16H29N3/c1-12(2)15-6-5-13(3)11-16(15)17-9-7-14-8-10-19(4)18-14/h8,10,12-13,15-17H,5-7,9,11H2,1-4H3
InChIKeyGUYVXXBDSKBHBE-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.01
Rot. Bonds5

About 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 104629202) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID104629202
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCc2ccn(C)n2)C1
InChIInChI=1S/C16H29N3/c1-12(2)15-6-5-13(3)11-16(15)17-9-7-14-8-10-19(4)18-14/h8,10,12-13,15-17H,5-7,9,11H2,1-4H3
InChIKeyGUYVXXBDSKBHBE-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 113434855
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
2-ethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104629179
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine
CID 60664609
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 106324727
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
CID 104629208
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 106104216
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 106104440

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 104629202) is 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCCc2ccn(C)n2)C1.
What is the InChIKey of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is GUYVXXBDSKBHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)15-6-5-13(3)11-16(15)17-9-7-14-8-10-19(4)18-14/h8,10,12-13,15-17H,5-7,9,11H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 104629202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).