3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide

C15H25N3 — CID 64538702

IUPAC3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(C)C(C)C(C)C)c1ccccc1
InChIInChI=1S/C15H25N3/c1-11(2)12(3)18(4)10-14(15(16)17)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H3,16,17)
InChIKeyJIQWSRQYONETEC-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.68
Rot. Bonds6

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

3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide (PubChem CID 64538702) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
PubChem CID64538702
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(C)C(C)C(C)C)c1ccccc1
InChIInChI=1S/C15H25N3/c1-11(2)12(3)18(4)10-14(15(16)17)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H3,16,17)
InChIKeyJIQWSRQYONETEC-UHFFFAOYSA-N
XLogP2.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanimidamide
CID 64537694
3-[3-hydroxybutyl(methyl)amino]-2-phenylpropanimidamide
CID 113499633
3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanehydrazide
CID 64565017
3-[methyl(pentyl)amino]-2-phenylpropanimidamide
CID 64536672
3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 64536474
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-phenylpropanimidamide
CID 64538106
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-phenylpropanimidamide
CID 64537074
3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanimidamide
CID 107770788
3-[methyl(propan-2-yl)amino]-2-phenylpropanethioamide
CID 64535916
3-tert-butylsulfanyl-2-phenylpropanimidamide
CID 64536103
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide?
The IUPAC name of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide (CID 64538702) is 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide?
The canonical SMILES for 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide is [H]/N=C(\N)C(CN(C)C(C)C(C)C)c1ccccc1.
What is the InChIKey of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide?
The InChIKey is JIQWSRQYONETEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)12(3)18(4)10-14(15(16)17)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H3,16,17).
What are the key properties of 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide?
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide has a molecular weight of 247.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 64538702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).