2-(cyclopentylmethylamino)ethanol

C8H17NO — CID 18316431

IUPAC2-(cyclopentylmethylamino)ethanol
SMILESOCCNCC1CCCC1
InChIInChI=1S/C8H17NO/c10-6-5-9-7-8-3-1-2-4-8/h8-10H,1-7H2
InChIKeyHJFLACOBXZMPTR-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds4

About 2-(cyclopentylmethylamino)ethanol

2-(cyclopentylmethylamino)ethanol (PubChem CID 18316431) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)ethanol.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)ethanol
PubChem CID18316431
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(cyclopentylmethylamino)ethanol
SMILESOCCNCC1CCCC1
InChIInChI=1S/C8H17NO/c10-6-5-9-7-8-3-1-2-4-8/h8-10H,1-7H2
InChIKeyHJFLACOBXZMPTR-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(cyclopentylmethylamino)ethanol?
The IUPAC name of 2-(cyclopentylmethylamino)ethanol (CID 18316431) is 2-(cyclopentylmethylamino)ethanol.
What is the SMILES notation for 2-(cyclopentylmethylamino)ethanol?
The canonical SMILES for 2-(cyclopentylmethylamino)ethanol is OCCNCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylamino)ethanol?
The InChIKey is HJFLACOBXZMPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c10-6-5-9-7-8-3-1-2-4-8/h8-10H,1-7H2.
What are the key properties of 2-(cyclopentylmethylamino)ethanol?
2-(cyclopentylmethylamino)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)ethanol is sourced from PubChem (CID 18316431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).