(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol

C10H18N2O — CID 55265665

IUPAC(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol
SMILESCn1cccc1[C@H](N)CCCCO
InChIInChI=1S/C10H18N2O/c1-12-7-4-6-10(12)9(11)5-2-3-8-13/h4,6-7,9,13H,2-3,5,8,11H2,1H3/t9-/m1/s1
InChIKeyYQZBRNPIOMYXAX-SECBINFHSA-N
MW182.27 g/mol
LogP1.19
Rot. Bonds5

About (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol

(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol (PubChem CID 55265665) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol
PubChem CID55265665
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol
SMILESCn1cccc1[C@H](N)CCCCO
InChIInChI=1S/C10H18N2O/c1-12-7-4-6-10(12)9(11)5-2-3-8-13/h4,6-7,9,13H,2-3,5,8,11H2,1H3/t9-/m1/s1
InChIKeyYQZBRNPIOMYXAX-SECBINFHSA-N
XLogP1.19
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
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 (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol?
The IUPAC name of (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol (CID 55265665) is (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol.
What is the SMILES notation for (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol?
The canonical SMILES for (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol is Cn1cccc1[C@H](N)CCCCO.
What is the InChIKey of (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol?
The InChIKey is YQZBRNPIOMYXAX-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-7-4-6-10(12)9(11)5-2-3-8-13/h4,6-7,9,13H,2-3,5,8,11H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol?
(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol is sourced from PubChem (CID 55265665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).