2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine

C12H19N3O — CID 63825157

IUPAC2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESc1cnc(CNCCOC2CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-4-12(3-1)16-8-7-14-10-11-9-13-5-6-15-11/h5-6,9,12,14H,1-4,7-8,10H2
InChIKeyBTDSSMYZSXKDSI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds6

About 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine

2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 63825157) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID63825157
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
SMILESc1cnc(CNCCOC2CCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-2-4-12(3-1)16-8-7-14-10-11-9-13-5-6-15-11/h5-6,9,12,14H,1-4,7-8,10H2
InChIKeyBTDSSMYZSXKDSI-UHFFFAOYSA-N
XLogP1.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
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

N-(2-cyclohexyloxyethyl)pyrazin-2-amine
CID 61064390
N-(pyrazin-2-ylmethyl)cyclopentanamine
CID 60985603
N-(pyrazin-2-ylmethyl)cyclooctanamine
CID 62761254
N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 55204874
3-(oxolan-2-ylmethoxy)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762499
2-cyclopentyloxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880866
4-cyclopentyloxy-N-(pyrazin-2-ylmethyl)aniline
CID 62762348
6-(pyrazin-2-ylmethylamino)hexan-1-ol
CID 103846289
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
2-cyclohexyloxy-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 63824614
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine (CID 63825157) is 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine is c1cnc(CNCCOC2CCCC2)cn1.
What is the InChIKey of 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is BTDSSMYZSXKDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-4-12(3-1)16-8-7-14-10-11-9-13-5-6-15-11/h5-6,9,12,14H,1-4,7-8,10H2.
What are the key properties of 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine?
2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 63825157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).