2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile

C13H22N2O — CID 63906691

IUPAC2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile
SMILESCC1CCCC(OCC(N)(C#N)C2CC2)C1
InChIInChI=1S/C13H22N2O/c1-10-3-2-4-12(7-10)16-9-13(15,8-14)11-5-6-11/h10-12H,2-7,9,15H2,1H3
InChIKeyJJZGFZZDFAQPNL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile

2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile (PubChem CID 63906691) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile
PubChem CID63906691
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile
SMILESCC1CCCC(OCC(N)(C#N)C2CC2)C1
InChIInChI=1S/C13H22N2O/c1-10-3-2-4-12(7-10)16-9-13(15,8-14)11-5-6-11/h10-12H,2-7,9,15H2,1H3
InChIKeyJJZGFZZDFAQPNL-UHFFFAOYSA-N
XLogP2.21
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile (CID 63906691) is 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile is CC1CCCC(OCC(N)(C#N)C2CC2)C1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile?
The InChIKey is JJZGFZZDFAQPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-3-2-4-12(7-10)16-9-13(15,8-14)11-5-6-11/h10-12H,2-7,9,15H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile?
2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile has a molecular weight of 222.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-methylcyclohexyl)oxypropanenitrile is sourced from PubChem (CID 63906691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).