2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile

C11H17N3 — CID 84817813

IUPAC2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile
SMILESCC(C)CCNC(C#N)c1ccc[nH]1
InChIInChI=1S/C11H17N3/c1-9(2)5-7-14-11(8-12)10-4-3-6-13-10/h3-4,6,9,11,13-14H,5,7H2,1-2H3
InChIKeyUWGLJPCBPMVINO-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.22
Rot. Bonds5

About 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile

2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile (PubChem CID 84817813) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile
PubChem CID84817813
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile
SMILESCC(C)CCNC(C#N)c1ccc[nH]1
InChIInChI=1S/C11H17N3/c1-9(2)5-7-14-11(8-12)10-4-3-6-13-10/h3-4,6,9,11,13-14H,5,7H2,1-2H3
InChIKeyUWGLJPCBPMVINO-UHFFFAOYSA-N
XLogP2.22
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816713
2-[[cyano(1H-pyrrol-2-yl)methyl]amino]acetic acid
CID 84816486
2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
CID 55263890
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819
2-(3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 112500762
2-(cyclopentylamino)-2-(1H-pyrrol-2-yl)acetonitrile
CID 84816919
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
3-methyl-2-[methylamino(1H-pyrrol-2-yl)methyl]butanenitrile
CID 116960694
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082
2-(3-methylbutylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 82020046
2-methylsulfanyl-2-(1H-pyrrol-2-yl)acetonitrile
CID 10397008
2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 84817786

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile (CID 84817813) is 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile is CC(C)CCNC(C#N)c1ccc[nH]1.
What is the InChIKey of 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
The InChIKey is UWGLJPCBPMVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(2)5-7-14-11(8-12)10-4-3-6-13-10/h3-4,6,9,11,13-14H,5,7H2,1-2H3.
What are the key properties of 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile?
2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile has a molecular weight of 191.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-2-(1H-pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 84817813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).