3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile

C17H23N3O — CID 79079472

IUPAC3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCN1CCOC(CNC2CC(C#N)(c3ccccc3)C2)C1
InChIInChI=1S/C17H23N3O/c1-20-7-8-21-16(12-20)11-19-15-9-17(10-15,13-18)14-5-3-2-4-6-14/h2-6,15-16,19H,7-12H2,1H3
InChIKeyNIAIBMGSSVWGTE-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.53
Rot. Bonds4

About 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile

3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 79079472) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID79079472
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCN1CCOC(CNC2CC(C#N)(c3ccccc3)C2)C1
InChIInChI=1S/C17H23N3O/c1-20-7-8-21-16(12-20)11-19-15-9-17(10-15,13-18)14-5-3-2-4-6-14/h2-6,15-16,19H,7-12H2,1H3
InChIKeyNIAIBMGSSVWGTE-UHFFFAOYSA-N
XLogP1.53
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylpyrazol-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64904858
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182
4,4-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79032963
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
3-[(3-hydroxy-2-methylpropyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 65031770
1-(4-methylmorpholin-2-yl)-N-phenylmethoxymethanamine
CID 79172103
3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79082739
2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532154
3-(4-hydroxybutylamino)-1-phenylcyclobutane-1-carbonitrile
CID 106840979
3-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79083040
3-[(2-methyl-3-methylsulfanylpropyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 64906087

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (CID 79079472) is 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is CN1CCOC(CNC2CC(C#N)(c3ccccc3)C2)C1.
What is the InChIKey of 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is NIAIBMGSSVWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-7-8-21-16(12-20)11-19-15-9-17(10-15,13-18)14-5-3-2-4-6-14/h2-6,15-16,19H,7-12H2,1H3.
What are the key properties of 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 79079472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).