2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile

C15H22N2 — CID 116946153

IUPAC2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile
SMILESCCC(C)c1ccc(C(N)C(C#N)CC)cc1
InChIInChI=1S/C15H22N2/c1-4-11(3)13-6-8-14(9-7-13)15(17)12(5-2)10-16/h6-9,11-12,15H,4-5,17H2,1-3H3
InChIKeyJNBYIQAXDVIIDG-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.75
Rot. Bonds5

About 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile

2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile (PubChem CID 116946153) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile.

Molecular Properties

Compound Name2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile
PubChem CID116946153
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile
SMILESCCC(C)c1ccc(C(N)C(C#N)CC)cc1
InChIInChI=1S/C15H22N2/c1-4-11(3)13-6-8-14(9-7-13)15(17)12(5-2)10-16/h6-9,11-12,15H,4-5,17H2,1-3H3
InChIKeyJNBYIQAXDVIIDG-UHFFFAOYSA-N
XLogP3.75
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
2-[(4-butan-2-ylphenyl)-(dimethylamino)methyl]butanenitrile
CID 116913691
2-[amino-(4-methoxy-3-propan-2-ylphenyl)methyl]butanenitrile
CID 116946160
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
CID 82984910
2-[amino-(3-fluorophenyl)methyl]butanenitrile
CID 116946249
2-[[(4-butan-2-ylphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254458
2-[amino-(3-tert-butyl-4-methoxyphenyl)methyl]butanenitrile
CID 116946154
2-[amino-(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanenitrile
CID 116946233
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
2-(4-butan-2-ylphenyl)-2,2-difluoroacetonitrile
CID 116840569

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile?
The IUPAC name of 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile (CID 116946153) is 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile.
What is the SMILES notation for 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile?
The canonical SMILES for 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile is CCC(C)c1ccc(C(N)C(C#N)CC)cc1.
What is the InChIKey of 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile?
The InChIKey is JNBYIQAXDVIIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-11(3)13-6-8-14(9-7-13)15(17)12(5-2)10-16/h6-9,11-12,15H,4-5,17H2,1-3H3.
What are the key properties of 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile?
2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile has a molecular weight of 230.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile is sourced from PubChem (CID 116946153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).