N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C15H27N3O — CID 116764059

IUPACN-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1(OCC)CCCCC1
InChIInChI=1S/C15H27N3O/c1-4-16-14(13-9-12-17-18(13)3)15(19-5-2)10-7-6-8-11-15/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyAIUNPMXIBGGYPK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.81
Rot. Bonds6

About N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 116764059) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID116764059
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1C)C1(OCC)CCCCC1
InChIInChI=1S/C15H27N3O/c1-4-16-14(13-9-12-17-18(13)3)15(19-5-2)10-7-6-8-11-15/h9,12,14,16H,4-8,10-11H2,1-3H3
InChIKeyAIUNPMXIBGGYPK-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 116770958
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(2-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 105148565
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 116762281
[(1-methoxycyclobutyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105270208
3-[(1-ethoxycyclohexyl)-(ethylamino)methyl]pyridin-4-amine
CID 116764129
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 116764059) is N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccnn1C)C1(OCC)CCCCC1.
What is the InChIKey of N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is AIUNPMXIBGGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-16-14(13-9-12-17-18(13)3)15(19-5-2)10-7-6-8-11-15/h9,12,14,16H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 116764059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).