3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

C15H26N2O2 — CID 63907116

IUPAC3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCCCCOCCOCC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C15H26N2O2/c1-2-3-8-18-9-10-19-12-15(11-16,13-4-5-13)17-14-6-7-14/h13-14,17H,2-10,12H2,1H3
InChIKeyVRMUWCNQDPZMME-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.24
Rot. Bonds11

About 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (PubChem CID 63907116) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
PubChem CID63907116
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCCCCOCCOCC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C15H26N2O2/c1-2-3-8-18-9-10-19-12-15(11-16,13-4-5-13)17-14-6-7-14/h13-14,17H,2-10,12H2,1H3
InChIKeyVRMUWCNQDPZMME-UHFFFAOYSA-N
XLogP2.24
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The IUPAC name of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (CID 63907116) is 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.
What is the SMILES notation for 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The canonical SMILES for 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is CCCCOCCOCC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The InChIKey is VRMUWCNQDPZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-8-18-9-10-19-12-15(11-16,13-4-5-13)17-14-6-7-14/h13-14,17H,2-10,12H2,1H3.
What are the key properties of 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile has a molecular weight of 266.38 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is sourced from PubChem (CID 63907116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).