2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile

C15H20N2O — CID 114275975

IUPAC2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile
SMILESCCCC(Nc1c(C#N)cccc1OC)C1CC1
InChIInChI=1S/C15H20N2O/c1-3-5-13(11-8-9-11)17-15-12(10-16)6-4-7-14(15)18-2/h4,6-7,11,13,17H,3,5,8-9H2,1-2H3
InChIKeyQSDGXOZTHVMNBR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.56
Rot. Bonds6

About 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile

2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile (PubChem CID 114275975) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile
PubChem CID114275975
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile
SMILESCCCC(Nc1c(C#N)cccc1OC)C1CC1
InChIInChI=1S/C15H20N2O/c1-3-5-13(11-8-9-11)17-15-12(10-16)6-4-7-14(15)18-2/h4,6-7,11,13,17H,3,5,8-9H2,1-2H3
InChIKeyQSDGXOZTHVMNBR-UHFFFAOYSA-N
XLogP3.56
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-(hexan-2-ylamino)-3-methoxybenzonitrile
CID 107466667
2-(1-ethoxypropan-2-ylamino)-3-methoxybenzonitrile
CID 107466942
3-methoxy-2-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 107466869
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]benzonitrile
CID 107466948
2-(2,2-diethoxyethylamino)-3-methoxybenzonitrile
CID 107467407
3-methoxy-2-(1-phenylpropan-2-ylamino)benzonitrile
CID 107466700
2-[1-(4-bromophenyl)propylamino]-3-methoxybenzonitrile
CID 107466745
2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile
CID 107466817
2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile
CID 107466646
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
2-[(3-ethylcyclohexyl)amino]-3-methoxybenzonitrile
CID 107466643
2-(2-hydroxybutylamino)-3-methoxybenzonitrile
CID 107467370

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile?
The IUPAC name of 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile (CID 114275975) is 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile.
What is the SMILES notation for 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile?
The canonical SMILES for 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile is CCCC(Nc1c(C#N)cccc1OC)C1CC1.
What is the InChIKey of 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile?
The InChIKey is QSDGXOZTHVMNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-5-13(11-8-9-11)17-15-12(10-16)6-4-7-14(15)18-2/h4,6-7,11,13,17H,3,5,8-9H2,1-2H3.
What are the key properties of 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile?
2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile is sourced from PubChem (CID 114275975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).