2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine

C16H29N3 — CID 115858127

IUPAC2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1ccnn1CC
InChIInChI=1S/C16H29N3/c1-3-17-15(16-11-12-18-19(16)4-2)13-14-9-7-5-6-8-10-14/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeyVGKXETBPZLZUPT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds6

About 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine

2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 115858127) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID115858127
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1ccnn1CC
InChIInChI=1S/C16H29N3/c1-3-17-15(16-11-12-18-19(16)4-2)13-14-9-7-5-6-8-10-14/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeyVGKXETBPZLZUPT-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine
CID 105148508
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63975733
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
[2-cyclohexylsulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105227851
2-cyclohexyl-2-ethoxy-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116772422
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148426
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine (CID 115858127) is 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine is CCNC(CC1CCCCCC1)c1ccnn1CC.
What is the InChIKey of 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is VGKXETBPZLZUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-17-15(16-11-12-18-19(16)4-2)13-14-9-7-5-6-8-10-14/h11-12,14-15,17H,3-10,13H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine?
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 115858127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).