2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile

C9H16N2O — CID 82738997

IUPAC2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile
SMILESCC1OCCC1N(C)C(C)C#N
InChIInChI=1S/C9H16N2O/c1-7(6-10)11(3)9-4-5-12-8(9)2/h7-9H,4-5H2,1-3H3
InChIKeySUGQSMMIGRLKLS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds2

About 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile

2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile (PubChem CID 82738997) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile
PubChem CID82738997
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile
SMILESCC1OCCC1N(C)C(C)C#N
InChIInChI=1S/C9H16N2O/c1-7(6-10)11(3)9-4-5-12-8(9)2/h7-9H,4-5H2,1-3H3
InChIKeySUGQSMMIGRLKLS-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901
N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82734580
2-cyano-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738802
2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82754425
2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82982688
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
4-chloro-2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82983699

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile?
The IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile (CID 82738997) is 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile?
The canonical SMILES for 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile is CC1OCCC1N(C)C(C)C#N.
What is the InChIKey of 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile?
The InChIKey is SUGQSMMIGRLKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(6-10)11(3)9-4-5-12-8(9)2/h7-9H,4-5H2,1-3H3.
What are the key properties of 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile?
2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile is sourced from PubChem (CID 82738997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).