2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile

C10H18N2O — CID 177227779

IUPAC2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile
SMILESCC(C)OC1CC(C)(NCC#N)C1
InChIInChI=1S/C10H18N2O/c1-8(2)13-9-6-10(3,7-9)12-5-4-11/h8-9,12H,5-7H2,1-3H3
InChIKeyDCFVUYRVARJHLG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.45
Rot. Bonds4

About 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile

2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile (PubChem CID 177227779) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile
PubChem CID177227779
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile
SMILESCC(C)OC1CC(C)(NCC#N)C1
InChIInChI=1S/C10H18N2O/c1-8(2)13-9-6-10(3,7-9)12-5-4-11/h8-9,12H,5-7H2,1-3H3
InChIKeyDCFVUYRVARJHLG-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile?
The IUPAC name of 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile (CID 177227779) is 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile.
What is the SMILES notation for 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile?
The canonical SMILES for 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile is CC(C)OC1CC(C)(NCC#N)C1.
What is the InChIKey of 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile?
The InChIKey is DCFVUYRVARJHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)13-9-6-10(3,7-9)12-5-4-11/h8-9,12H,5-7H2,1-3H3.
What are the key properties of 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile?
2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3-propan-2-yloxycyclobutyl)amino]acetonitrile is sourced from PubChem (CID 177227779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).