N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine

C11H18N2O — CID 83229360

IUPACN-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine
SMILESCn1cccc1CNOC1CCCC1
InChIInChI=1S/C11H18N2O/c1-13-8-4-5-10(13)9-12-14-11-6-2-3-7-11/h4-5,8,11-12H,2-3,6-7,9H2,1H3
InChIKeyOLCZHMMXIUBARZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds4

About N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine

N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine (PubChem CID 83229360) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine
PubChem CID83229360
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine
SMILESCn1cccc1CNOC1CCCC1
InChIInChI=1S/C11H18N2O/c1-13-8-4-5-10(13)9-12-14-11-6-2-3-7-11/h4-5,8,11-12H,2-3,6-7,9H2,1H3
InChIKeyOLCZHMMXIUBARZ-UHFFFAOYSA-N
XLogP1.99
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine (CID 83229360) is N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine is Cn1cccc1CNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine?
The InChIKey is OLCZHMMXIUBARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-8-4-5-10(13)9-12-14-11-6-2-3-7-11/h4-5,8,11-12H,2-3,6-7,9H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine?
N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine is sourced from PubChem (CID 83229360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).