5-(1-aminocyclopentyl)-2-methoxybenzonitrile

C13H16N2O — CID 84784738

IUPAC5-(1-aminocyclopentyl)-2-methoxybenzonitrile
SMILESCOc1ccc(C2(N)CCCC2)cc1C#N
InChIInChI=1S/C13H16N2O/c1-16-12-5-4-11(8-10(12)9-14)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyNHEUFSGPXJANHI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.29
Rot. Bonds2

About 5-(1-aminocyclopentyl)-2-methoxybenzonitrile

5-(1-aminocyclopentyl)-2-methoxybenzonitrile (PubChem CID 84784738) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(1-aminocyclopentyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(1-aminocyclopentyl)-2-methoxybenzonitrile
PubChem CID84784738
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(1-aminocyclopentyl)-2-methoxybenzonitrile
SMILESCOc1ccc(C2(N)CCCC2)cc1C#N
InChIInChI=1S/C13H16N2O/c1-16-12-5-4-11(8-10(12)9-14)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyNHEUFSGPXJANHI-UHFFFAOYSA-N
XLogP2.29
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
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5-(1-aminocyclopropyl)-2-methoxyaniline
CID 55297586
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1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
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5,8-dimethoxynaphthalene-2,3-dicarbonitrile
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1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]cyclopentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopentyl)-2-methoxybenzonitrile?
The IUPAC name of 5-(1-aminocyclopentyl)-2-methoxybenzonitrile (CID 84784738) is 5-(1-aminocyclopentyl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(1-aminocyclopentyl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(1-aminocyclopentyl)-2-methoxybenzonitrile is COc1ccc(C2(N)CCCC2)cc1C#N.
What is the InChIKey of 5-(1-aminocyclopentyl)-2-methoxybenzonitrile?
The InChIKey is NHEUFSGPXJANHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-12-5-4-11(8-10(12)9-14)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3.
What are the key properties of 5-(1-aminocyclopentyl)-2-methoxybenzonitrile?
5-(1-aminocyclopentyl)-2-methoxybenzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopentyl)-2-methoxybenzonitrile is sourced from PubChem (CID 84784738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).