2-amino-4-cyclobutyloxy-2-methylbutanenitrile

C9H16N2O — CID 62142185

IUPAC2-amino-4-cyclobutyloxy-2-methylbutanenitrile
SMILESCC(N)(C#N)CCOC1CCC1
InChIInChI=1S/C9H16N2O/c1-9(11,7-10)5-6-12-8-3-2-4-8/h8H,2-6,11H2,1H3
InChIKeyACRDNYCXAZBDHI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.19
Rot. Bonds4

About 2-amino-4-cyclobutyloxy-2-methylbutanenitrile

2-amino-4-cyclobutyloxy-2-methylbutanenitrile (PubChem CID 62142185) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-amino-4-cyclobutyloxy-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-cyclobutyloxy-2-methylbutanenitrile
PubChem CID62142185
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-amino-4-cyclobutyloxy-2-methylbutanenitrile
SMILESCC(N)(C#N)CCOC1CCC1
InChIInChI=1S/C9H16N2O/c1-9(11,7-10)5-6-12-8-3-2-4-8/h8H,2-6,11H2,1H3
InChIKeyACRDNYCXAZBDHI-UHFFFAOYSA-N
XLogP1.19
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Amino-3-methylbutoxy)-4-methylpentanenitrile
CID 135198752
4-Cyclobutyloxy-2-methylbutan-2-amine
CID 167270158
1-Amino-3-propan-2-yloxycyclobutane-1-carbonitrile
CID 177227450
2-Amino-2-methyl-4-(2-methylpropoxy)butanenitrile
CID 61896729
2-Amino-2-methyl-4-(propan-2-yloxy)butanenitrile
CID 61896739
2-Amino-4-(3-methoxypropoxy)-2-methylbutanenitrile
CID 61897777
2-Amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]butanenitrile
CID 61898795
2-Amino-2-methyl-4-(2-methylbutan-2-yloxy)butanenitrile
CID 61898815
2-Amino-2-methyl-4-(3-methylbutoxy)butanenitrile
CID 61899031
2-Amino-2-methyl-4-pentoxybutanenitrile
CID 61926231
2-Amino-4-butan-2-yloxy-2-methylbutanenitrile
CID 61927076
2-Amino-2-methyl-4-(4-methylpentan-2-yloxy)butanenitrile
CID 61927439

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclobutyloxy-2-methylbutanenitrile?
The IUPAC name of 2-amino-4-cyclobutyloxy-2-methylbutanenitrile (CID 62142185) is 2-amino-4-cyclobutyloxy-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-4-cyclobutyloxy-2-methylbutanenitrile?
The canonical SMILES for 2-amino-4-cyclobutyloxy-2-methylbutanenitrile is CC(N)(C#N)CCOC1CCC1.
What is the InChIKey of 2-amino-4-cyclobutyloxy-2-methylbutanenitrile?
The InChIKey is ACRDNYCXAZBDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(11,7-10)5-6-12-8-3-2-4-8/h8H,2-6,11H2,1H3.
What are the key properties of 2-amino-4-cyclobutyloxy-2-methylbutanenitrile?
2-amino-4-cyclobutyloxy-2-methylbutanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclobutyloxy-2-methylbutanenitrile is sourced from PubChem (CID 62142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).