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'}

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Related Compounds

4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132218
N-methoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82706215
3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 28878150
N-ethoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82709339
4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126325
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
N-[(1-methylpyrrol-2-yl)methyl]adamantan-1-amine
CID 4719006
2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 115641589
2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 115641653
(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
CID 59436642
N-cyclopentyloxy-1-(4-methylphenyl)methanamine
CID 83229470
1-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]piperidin-4-amine
CID 62132410

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).