3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide

C15H23N3O — CID 64536474

IUPAC3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(C)C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-18(13-7-9-19-10-8-13)11-14(15(16)17)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H3,16,17)
InChIKeyPQTJKRNYXFOIRJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.82
Rot. Bonds5

About 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide

3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide (PubChem CID 64536474) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
PubChem CID64536474
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(C)C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-18(13-7-9-19-10-8-13)11-14(15(16)17)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H3,16,17)
InChIKeyPQTJKRNYXFOIRJ-UHFFFAOYSA-N
XLogP1.82
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-phenylpropanimidamide
CID 64537074
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 64538702
3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
2-methyl-3-[methyl(oxolan-3-yl)amino]propanimidamide
CID 63558755
3-[methyl(pentyl)amino]-2-phenylpropanimidamide
CID 64536672
3-[3-hydroxybutyl(methyl)amino]-2-phenylpropanimidamide
CID 113499633
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-phenylpropanimidamide
CID 64538106
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845
3-tert-butylsulfanyl-2-phenylpropanimidamide
CID 64536103

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide (CID 64536474) is 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide is [H]/N=C(\N)C(CN(C)C1CCOCC1)c1ccccc1.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
The InChIKey is PQTJKRNYXFOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(13-7-9-19-10-8-13)11-14(15(16)17)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H3,16,17).
What are the key properties of 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide?
3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide has a molecular weight of 261.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 64536474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).