5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile

C11H16N2S — CID 62056210

IUPAC5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
SMILESCc1ccc(CNCCCCC#N)s1
InChIInChI=1S/C11H16N2S/c1-10-5-6-11(14-10)9-13-8-4-2-3-7-12/h5-6,13H,2-4,8-9H2,1H3
InChIKeyIOXVFARMEUSKLB-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.84
Rot. Bonds6

About 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile

5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile (PubChem CID 62056210) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
PubChem CID62056210
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
SMILESCc1ccc(CNCCCCC#N)s1
InChIInChI=1S/C11H16N2S/c1-10-5-6-11(14-10)9-13-8-4-2-3-7-12/h5-6,13H,2-4,8-9H2,1H3
InChIKeyIOXVFARMEUSKLB-UHFFFAOYSA-N
XLogP2.84
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 65254097
N-[(5-methylthiophen-2-yl)methyl]but-3-yn-1-amine
CID 63656860
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
3-(5-methylthiophen-2-yl)propanenitrile
CID 67437836
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
5-[(2-methylphenyl)methylamino]pentanenitrile
CID 60695206
3,3-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]hexane-1,6-diamine
CID 65296351
4-[3-[(5-methylthiophen-2-yl)methylamino]propyl]aniline
CID 113290666
methyl 4-[(5-methylthiophen-2-yl)methylamino]butanoate
CID 60782313

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile?
The IUPAC name of 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile (CID 62056210) is 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile.
What is the SMILES notation for 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile?
The canonical SMILES for 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile is Cc1ccc(CNCCCCC#N)s1.
What is the InChIKey of 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile?
The InChIKey is IOXVFARMEUSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-10-5-6-11(14-10)9-13-8-4-2-3-7-12/h5-6,13H,2-4,8-9H2,1H3.
What are the key properties of 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile?
5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile has a molecular weight of 208.33 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile is sourced from PubChem (CID 62056210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).