1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile

C15H18N2 — CID 155265992

IUPAC1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CN[C@H]2CC2c2ccccc2)CCC1
InChIInChI=1S/C15H18N2/c16-10-15(7-4-8-15)11-17-14-9-13(14)12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-9,11H2/t13?,14-/m0/s1
InChIKeyZBIKXTYMHNSQDD-KZUDCZAMSA-N
MW226.32 g/mol
LogP2.83
Rot. Bonds4

About 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile

1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile (PubChem CID 155265992) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile
PubChem CID155265992
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CN[C@H]2CC2c2ccccc2)CCC1
InChIInChI=1S/C15H18N2/c16-10-15(7-4-8-15)11-17-14-9-13(14)12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-9,11H2/t13?,14-/m0/s1
InChIKeyZBIKXTYMHNSQDD-KZUDCZAMSA-N
XLogP2.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile (CID 155265992) is 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile is N#CC1(CN[C@H]2CC2c2ccccc2)CCC1.
What is the InChIKey of 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is ZBIKXTYMHNSQDD-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H18N2/c16-10-15(7-4-8-15)11-17-14-9-13(14)12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-9,11H2/t13?,14-/m0/s1.
What are the key properties of 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile?
1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 155265992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).