2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C16H29N3 — CID 62707865

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1n1nc(C)cc1C
InChIInChI=1S/C16H29N3/c1-6-17-15-8-7-14(11(2)3)10-16(15)19-13(5)9-12(4)18-19/h9,11,14-17H,6-8,10H2,1-5H3
InChIKeyJRKHZIMBVDBZMY-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.48
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62707865) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID62707865
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1n1nc(C)cc1C
InChIInChI=1S/C16H29N3/c1-6-17-15-8-7-14(11(2)3)10-16(15)19-13(5)9-12(4)18-19/h9,11,14-17H,6-8,10H2,1-5H3
InChIKeyJRKHZIMBVDBZMY-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64632318
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703896
N-ethyl-4-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-amine
CID 62704456
N-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-amine
CID 83227358
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
[2-(3,5-dimethylpyrazol-1-yl)cyclopentyl]methanamine
CID 43293800
methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
CID 64613535
2-(2-ethylimidazol-1-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62703898
N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 113417248
2-(2,4-dimethylpiperidin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63468038
2-(benzenesulfonyl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62916348
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 62707865) is 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1n1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JRKHZIMBVDBZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-17-15-8-7-14(11(2)3)10-16(15)19-13(5)9-12(4)18-19/h9,11,14-17H,6-8,10H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62707865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).