3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile

C15H20N2 — CID 64904409

IUPAC3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
SMILESCC(C)CNC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C15H20N2/c1-12(2)10-17-14-8-15(9-14,11-16)13-6-4-3-5-7-13/h3-7,12,14,17H,8-10H2,1-2H3
InChIKeyCBZTXXWUAWIUDG-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.86
Rot. Bonds4

About 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile

3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile (PubChem CID 64904409) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
PubChem CID64904409
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
SMILESCC(C)CNC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C15H20N2/c1-12(2)10-17-14-8-15(9-14,11-16)13-6-4-3-5-7-13/h3-7,12,14,17H,8-10H2,1-2H3
InChIKeyCBZTXXWUAWIUDG-UHFFFAOYSA-N
XLogP2.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile (CID 64904409) is 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile is CC(C)CNC1CC(C#N)(c2ccccc2)C1.
What is the InChIKey of 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is CBZTXXWUAWIUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(2)10-17-14-8-15(9-14,11-16)13-6-4-3-5-7-13/h3-7,12,14,17H,8-10H2,1-2H3.
What are the key properties of 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile?
3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 64904409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).