2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol

C11H23NO2 — CID 117236803

IUPAC2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol
SMILESCOCCC(CO)CNC1CCCC1
InChIInChI=1S/C11H23NO2/c1-14-7-6-10(9-13)8-12-11-4-2-3-5-11/h10-13H,2-9H2,1H3
InChIKeyGWLYXSQNPANDAL-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds7

About 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol

2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol (PubChem CID 117236803) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol
PubChem CID117236803
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol
SMILESCOCCC(CO)CNC1CCCC1
InChIInChI=1S/C11H23NO2/c1-14-7-6-10(9-13)8-12-11-4-2-3-5-11/h10-13H,2-9H2,1H3
InChIKeyGWLYXSQNPANDAL-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclobutylamino)methyl]pentan-1-ol
CID 117241776
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132
1-N-cyclohexyl-3-methoxypropane-1,2-diamine
CID 81101146
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
2-[[(1-methylpiperidin-4-yl)amino]methyl]pentan-1-ol
CID 142846746
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
2-ethyl-4-methoxybutan-1-ol
CID 66058779
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
N-[2-cyclopentyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412730
2-(aminomethyl)-4-methoxybutan-1-ol
CID 63216338
2-N-butan-2-yl-1-N-cyclopentyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 62570553

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol?
The IUPAC name of 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol (CID 117236803) is 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol is COCCC(CO)CNC1CCCC1.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol?
The InChIKey is GWLYXSQNPANDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-14-7-6-10(9-13)8-12-11-4-2-3-5-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol?
2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-4-methoxybutan-1-ol is sourced from PubChem (CID 117236803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).