1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C16H29N3 — CID 107189700

IUPAC1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3/c1-5-19-13(10-12(2)18-19)11-15(17)14-8-6-7-9-16(14,3)4/h10,14-15H,5-9,11,17H2,1-4H3
InChIKeySFMSAPBGNKLDDP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 107189700) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID107189700
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3/c1-5-19-13(10-12(2)18-19)11-15(17)14-8-6-7-9-16(14,3)4/h10,14-15H,5-9,11,17H2,1-4H3
InChIKeySFMSAPBGNKLDDP-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870930
1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 107189434
1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107190490
1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79060933
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766289
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830290
3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 80561107
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250684
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068561
N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002697
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 107189700) is 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1CC(N)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is SFMSAPBGNKLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19-13(10-12(2)18-19)11-15(17)14-8-6-7-9-16(14,3)4/h10,14-15H,5-9,11,17H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107189700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).