2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile

C15H20N2O — CID 102862350

IUPAC2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O/c1-12-6-7-13(11-16)15(10-12)17(8-3-9-18)14-4-2-5-14/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyNHCUVFJAJGTJME-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds5

About 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile

2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile (PubChem CID 102862350) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
PubChem CID102862350
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(N(CCCO)C2CCC2)c1
InChIInChI=1S/C15H20N2O/c1-12-6-7-13(11-16)15(10-12)17(8-3-9-18)14-4-2-5-14/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyNHCUVFJAJGTJME-UHFFFAOYSA-N
XLogP2.61
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[cyclobutyl(3-hydroxypropyl)amino]-3-fluorobenzonitrile
CID 107534119
4-[cyclobutyl(3-hydroxypropyl)amino]-3-fluorobenzonitrile
CID 102846700
3-[cyclobutyl(3-hydroxypropyl)amino]-4-[(1S)-1-hydroxyethyl]benzonitrile
CID 102864207
2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
CID 107927022
3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile
CID 102862313
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
2-[cyclohexylmethyl(methyl)amino]-4-methylbenzonitrile
CID 63512288
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
2-[cyclobutyl(3-hydroxypropyl)amino]-6-ethylsulfanylbenzonitrile
CID 102862337
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
CID 102862392
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
CID 114055126

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile (CID 102862350) is 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile is Cc1ccc(C#N)c(N(CCCO)C2CCC2)c1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile?
The InChIKey is NHCUVFJAJGTJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-6-7-13(11-16)15(10-12)17(8-3-9-18)14-4-2-5-14/h6-7,10,14,18H,2-5,8-9H2,1H3.
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile?
2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 102862350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).