1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol

C10H21NO2 — CID 65108735

IUPAC1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
SMILESOCCCCNCC1(O)CCCC1
InChIInChI=1S/C10H21NO2/c12-8-4-3-7-11-9-10(13)5-1-2-6-10/h11-13H,1-9H2
InChIKeyFVDYBNGSYCDFOE-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds6

About 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol

1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol (PubChem CID 65108735) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
PubChem CID65108735
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
SMILESOCCCCNCC1(O)CCCC1
InChIInChI=1S/C10H21NO2/c12-8-4-3-7-11-9-10(13)5-1-2-6-10/h11-13H,1-9H2
InChIKeyFVDYBNGSYCDFOE-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol (CID 65108735) is 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol is OCCCCNCC1(O)CCCC1.
What is the InChIKey of 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol?
The InChIKey is FVDYBNGSYCDFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c12-8-4-3-7-11-9-10(13)5-1-2-6-10/h11-13H,1-9H2.
What are the key properties of 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol?
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).