3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide

C15H25N3O — CID 76929898

IUPAC3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCCc1ccc(CN(CCC(N)=NO)C(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-4-13-5-7-14(8-6-13)11-18(12(2)3)10-9-15(16)17-19/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyYFDNOAUAKRDYSR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.60
Rot. Bonds7

About 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide

3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 76929898) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID76929898
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCCc1ccc(CN(CCC(N)=NO)C(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-4-13-5-7-14(8-6-13)11-18(12(2)3)10-9-15(16)17-19/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyYFDNOAUAKRDYSR-UHFFFAOYSA-N
XLogP2.60
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.60
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 105403745
N-(3-amino-3-hydroxyiminopropyl)-4-ethyl-N-propan-2-ylbenzamide
CID 76911411
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
3-[(5-fluoro-2-methylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 105371839
N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76911368
N'-hydroxy-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanimidamide
CID 54998003
N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
CID 77069695
2-[(4-fluorophenyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77044595
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 77125248
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 107306583
2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 76929902

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide (CID 76929898) is 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide is CCc1ccc(CN(CCC(N)=NO)C(C)C)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is YFDNOAUAKRDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13-5-7-14(8-6-13)11-18(12(2)3)10-9-15(16)17-19/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17).
What are the key properties of 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).