3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile

C17H22N2O — CID 102612701

IUPAC3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NCCOCC2CC2)C1
InChIInChI=1S/C17H22N2O/c18-13-17(15-4-2-1-3-5-15)10-16(11-17)19-8-9-20-12-14-6-7-14/h1-5,14,16,19H,6-12H2
InChIKeyFWXOOMYSZYFAIC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds7

About 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile

3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 102612701) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID102612701
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NCCOCC2CC2)C1
InChIInChI=1S/C17H22N2O/c18-13-17(15-4-2-1-3-5-15)10-16(11-17)19-8-9-20-12-14-6-7-14/h1-5,14,16,19H,6-12H2
InChIKeyFWXOOMYSZYFAIC-UHFFFAOYSA-N
XLogP2.63
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile (CID 102612701) is 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile is N#CC1(c2ccccc2)CC(NCCOCC2CC2)C1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is FWXOOMYSZYFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-13-17(15-4-2-1-3-5-15)10-16(11-17)19-8-9-20-12-14-6-7-14/h1-5,14,16,19H,6-12H2.
What are the key properties of 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 102612701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).