3-[methyl(pentyl)amino]-2-phenylpropanimidamide

C15H25N3 — CID 64536672

IUPAC3-[methyl(pentyl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCCCC)c1ccccc1
InChIInChI=1S/C15H25N3/c1-3-4-8-11-18(2)12-14(15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H3,16,17)
InChIKeyWYCRSTVFHSSMMZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.83
Rot. Bonds8

About 3-[methyl(pentyl)amino]-2-phenylpropanimidamide

3-[methyl(pentyl)amino]-2-phenylpropanimidamide (PubChem CID 64536672) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-[methyl(pentyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[methyl(pentyl)amino]-2-phenylpropanimidamide
PubChem CID64536672
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-[methyl(pentyl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCCCC)c1ccccc1
InChIInChI=1S/C15H25N3/c1-3-4-8-11-18(2)12-14(15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H3,16,17)
InChIKeyWYCRSTVFHSSMMZ-UHFFFAOYSA-N
XLogP2.83
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(dibutylamino)-2-phenylpropanimidamide
CID 64537683
3-[3-hydroxybutyl(methyl)amino]-2-phenylpropanimidamide
CID 113499633
3-[methyl(3-methylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 64538702
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-phenylpropanimidamide
CID 64538106
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanimidamide
CID 64537694
3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 64536474
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
CID 107200128
2-(4-methoxyphenyl)-5-phenylnonanimidamide
CID 173345917
3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-phenylpropanimidamide
CID 64537074
3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanimidamide
CID 107770788
3-tert-butylsulfanyl-2-phenylpropanimidamide
CID 64536103
3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentyl)amino]-2-phenylpropanimidamide?
The IUPAC name of 3-[methyl(pentyl)amino]-2-phenylpropanimidamide (CID 64536672) is 3-[methyl(pentyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for 3-[methyl(pentyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for 3-[methyl(pentyl)amino]-2-phenylpropanimidamide is [H]/N=C(\N)C(CN(C)CCCCC)c1ccccc1.
What is the InChIKey of 3-[methyl(pentyl)amino]-2-phenylpropanimidamide?
The InChIKey is WYCRSTVFHSSMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-4-8-11-18(2)12-14(15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H3,16,17).
What are the key properties of 3-[methyl(pentyl)amino]-2-phenylpropanimidamide?
3-[methyl(pentyl)amino]-2-phenylpropanimidamide has a molecular weight of 247.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 64536672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).