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

C12H21N3O — CID 63001881

IUPAC2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCn1nccc1CNCCOC1CCCC1
InChIInChI=1S/C12H21N3O/c1-15-11(6-7-14-15)10-13-8-9-16-12-4-2-3-5-12/h6-7,12-13H,2-5,8-10H2,1H3
InChIKeyDHMVPZCRKSKHLL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.47
Rot. Bonds6

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

2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 63001881) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID63001881
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCn1nccc1CNCCOC1CCCC1
InChIInChI=1S/C12H21N3O/c1-15-11(6-7-14-15)10-13-8-9-16-12-4-2-3-5-12/h6-7,12-13H,2-5,8-10H2,1H3
InChIKeyDHMVPZCRKSKHLL-UHFFFAOYSA-N
XLogP1.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
1-(3-cyclopentyloxypropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956442
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111576035
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 115671255
N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
CID 115671236
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 63001881) is 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is Cn1nccc1CNCCOC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is DHMVPZCRKSKHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-11(6-7-14-15)10-13-8-9-16-12-4-2-3-5-12/h6-7,12-13H,2-5,8-10H2,1H3.
What are the key properties of 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 63001881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).