1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

C14H23N3O — CID 103157723

IUPAC1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(O)CC2CCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-11-7-17-13(9-16-11)8-15-10-14(18)6-12-4-2-3-5-12/h7,9,12,14-15,18H,2-6,8,10H2,1H3
InChIKeyYTHDSMBYMOISFQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.82
Rot. Bonds6

About 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol

1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (PubChem CID 103157723) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
PubChem CID103157723
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
SMILESCc1cnc(CNCC(O)CC2CCCC2)cn1
InChIInChI=1S/C14H23N3O/c1-11-7-17-13(9-16-11)8-15-10-14(18)6-12-4-2-3-5-12/h7,9,12,14-15,18H,2-6,8,10H2,1H3
InChIKeyYTHDSMBYMOISFQ-UHFFFAOYSA-N
XLogP1.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
1-(2-butoxyethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847559
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 62847006
1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 103157191
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372516
N-[(5-methylpyrazin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707499
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
CID 103157168
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 103158149

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol (CID 103157723) is 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is Cc1cnc(CNCC(O)CC2CCCC2)cn1.
What is the InChIKey of 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
The InChIKey is YTHDSMBYMOISFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-7-17-13(9-16-11)8-15-10-14(18)6-12-4-2-3-5-12/h7,9,12,14-15,18H,2-6,8,10H2,1H3.
What are the key properties of 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol?
1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol has a molecular weight of 249.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103157723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).