N'-hydroxy-3-(2-phenylpropylamino)propanimidamide

C12H19N3O — CID 104591633

IUPACN'-hydroxy-3-(2-phenylpropylamino)propanimidamide
SMILESCC(CNCC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-10(11-5-3-2-4-6-11)9-14-8-7-12(13)15-16/h2-6,10,14,16H,7-9H2,1H3,(H2,13,15)
InChIKeyKXVHFMBPBZWMAV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds6

About N'-hydroxy-3-(2-phenylpropylamino)propanimidamide

N'-hydroxy-3-(2-phenylpropylamino)propanimidamide (PubChem CID 104591633) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-hydroxy-3-(2-phenylpropylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-phenylpropylamino)propanimidamide
PubChem CID104591633
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-hydroxy-3-(2-phenylpropylamino)propanimidamide
SMILESCC(CNCC/C(N)=N/O)c1ccccc1
InChIInChI=1S/C12H19N3O/c1-10(11-5-3-2-4-6-11)9-14-8-7-12(13)15-16/h2-6,10,14,16H,7-9H2,1H3,(H2,13,15)
InChIKeyKXVHFMBPBZWMAV-UHFFFAOYSA-N
XLogP1.52
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide
CID 77032282
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-phenylbutanamide
CID 55101948
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-phenylpropylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-phenylpropylamino)propanimidamide (CID 104591633) is N'-hydroxy-3-(2-phenylpropylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-phenylpropylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-phenylpropylamino)propanimidamide is CC(CNCC/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(2-phenylpropylamino)propanimidamide?
The InChIKey is KXVHFMBPBZWMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(11-5-3-2-4-6-11)9-14-8-7-12(13)15-16/h2-6,10,14,16H,7-9H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-3-(2-phenylpropylamino)propanimidamide?
N'-hydroxy-3-(2-phenylpropylamino)propanimidamide has a molecular weight of 221.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-phenylpropylamino)propanimidamide is sourced from PubChem (CID 104591633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).