4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile

C15H20N2O — CID 104848349

IUPAC4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NC1CCCC1(C)C
InChIInChI=1S/C15H20N2O/c1-15(2)8-4-5-14(15)17-12-7-6-11(10-16)9-13(12)18-3/h6-7,9,14,17H,4-5,8H2,1-3H3
InChIKeyXRICLKQLFMWREN-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.56
Rot. Bonds3

About 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile

4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile (PubChem CID 104848349) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile
PubChem CID104848349
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NC1CCCC1(C)C
InChIInChI=1S/C15H20N2O/c1-15(2)8-4-5-14(15)17-12-7-6-11(10-16)9-13(12)18-3/h6-7,9,14,17H,4-5,8H2,1-3H3
InChIKeyXRICLKQLFMWREN-UHFFFAOYSA-N
XLogP3.56
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,4-dimethylthian-3-yl)amino]-3-methoxybenzonitrile
CID 104847986
3-methoxy-4-(spiro[3.5]nonan-3-ylamino)benzonitrile
CID 102952352
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580
4-[(3-cyclopropylcyclohexyl)amino]-3-methoxybenzonitrile
CID 104848126
2-(4-cyano-2-methoxyanilino)cycloheptane-1-carbonitrile
CID 104848615
3-methoxy-4-(piperidin-3-ylamino)benzonitrile
CID 104848330
3-methoxy-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 104848127
4-bromo-2-[(2,2-dimethylcyclopentyl)amino]benzonitrile
CID 114902013
4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
CID 113460277
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile
CID 83076603

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile (CID 104848349) is 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile is COc1cc(C#N)ccc1NC1CCCC1(C)C.
What is the InChIKey of 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile?
The InChIKey is XRICLKQLFMWREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2)8-4-5-14(15)17-12-7-6-11(10-16)9-13(12)18-3/h6-7,9,14,17H,4-5,8H2,1-3H3.
What are the key properties of 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile?
4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 104848349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).