1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine

C15H27N3O — CID 116770578

IUPAC1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccn(C)n2)CCCCCC1
InChIInChI=1S/C15H27N3O/c1-3-19-15(9-6-4-5-7-10-15)14(16)12-13-8-11-18(2)17-13/h8,11,14H,3-7,9-10,12,16H2,1-2H3
InChIKeyYVHORSBPEJOIRH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.42
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine

1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 116770578) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID116770578
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCOC1(C(N)Cc2ccn(C)n2)CCCCCC1
InChIInChI=1S/C15H27N3O/c1-3-19-15(9-6-4-5-7-10-15)14(16)12-13-8-11-18(2)17-13/h8,11,14H,3-7,9-10,12,16H2,1-2H3
InChIKeyYVHORSBPEJOIRH-UHFFFAOYSA-N
XLogP2.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051124
2-(1-methylpyrazol-3-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanamine
CID 82877836
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116768134
1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 104610403
[(1-ethoxycyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140671
1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131455
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131417
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
1-(1-ethoxycyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 116761822

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 116770578) is 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine is CCOC1(C(N)Cc2ccn(C)n2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is YVHORSBPEJOIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-19-15(9-6-4-5-7-10-15)14(16)12-13-8-11-18(2)17-13/h8,11,14H,3-7,9-10,12,16H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine?
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 116770578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).