3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile

C18H24N2 — CID 102612903

IUPAC3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCCC1(CNC2CC(C#N)(c3ccccc3)C2)CCC1
InChIInChI=1S/C18H24N2/c1-2-17(9-6-10-17)14-20-16-11-18(12-16,13-19)15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-12,14H2,1H3
InChIKeyOKQDBWLHRGJTFU-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.78
Rot. Bonds5

About 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile

3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 102612903) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID102612903
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCCC1(CNC2CC(C#N)(c3ccccc3)C2)CCC1
InChIInChI=1S/C18H24N2/c1-2-17(9-6-10-17)14-20-16-11-18(12-16,13-19)15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-12,14H2,1H3
InChIKeyOKQDBWLHRGJTFU-UHFFFAOYSA-N
XLogP3.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile (CID 102612903) is 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile is CCC1(CNC2CC(C#N)(c3ccccc3)C2)CCC1.
What is the InChIKey of 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is OKQDBWLHRGJTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-17(9-6-10-17)14-20-16-11-18(12-16,13-19)15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-12,14H2,1H3.
What are the key properties of 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 102612903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).