1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile

C8H14N2O — CID 177227450

IUPAC1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile
SMILESCC(C)OC1CC(N)(C#N)C1
InChIInChI=1S/C8H14N2O/c1-6(2)11-7-3-8(10,4-7)5-9/h6-7H,3-4,10H2,1-2H3
InChIKeyYLDVYDOAIMVHIE-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.79
Rot. Bonds2

About 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile

1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile (PubChem CID 177227450) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile
PubChem CID177227450
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile
SMILESCC(C)OC1CC(N)(C#N)C1
InChIInChI=1S/C8H14N2O/c1-6(2)11-7-3-8(10,4-7)5-9/h6-7H,3-4,10H2,1-2H3
InChIKeyYLDVYDOAIMVHIE-UHFFFAOYSA-N
XLogP0.79
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile?
The IUPAC name of 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile (CID 177227450) is 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile is CC(C)OC1CC(N)(C#N)C1.
What is the InChIKey of 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile?
The InChIKey is YLDVYDOAIMVHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)11-7-3-8(10,4-7)5-9/h6-7H,3-4,10H2,1-2H3.
What are the key properties of 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile?
1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-propan-2-yloxycyclobutane-1-carbonitrile is sourced from PubChem (CID 177227450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).