N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide

C14H23N3O2 — CID 81373743

IUPACN'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H23N3O2/c1-4-12(9-14(15)17-18)16-10(2)11-6-5-7-13(8-11)19-3/h5-8,10,12,16,18H,4,9H2,1-3H3,(H2,15,17)/t10-,12?/m1/s1
InChIKeyZSGYOEHWEGSTCF-RWANSRKNSA-N
MW265.36 g/mol
LogP2.26
Rot. Bonds7

About N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide

N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide (PubChem CID 81373743) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide
PubChem CID81373743
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide
SMILESCCC(C/C(N)=N/O)N[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C14H23N3O2/c1-4-12(9-14(15)17-18)16-10(2)11-6-5-7-13(8-11)19-3/h5-8,10,12,16,18H,4,9H2,1-3H3,(H2,15,17)/t10-,12?/m1/s1
InChIKeyZSGYOEHWEGSTCF-RWANSRKNSA-N
XLogP2.26
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide
CID 77028727
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287
N'-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114499
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
N'-hydroxy-3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropanimidamide
CID 81373958
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260760

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide (CID 81373743) is N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide is CCC(C/C(N)=N/O)N[C@H](C)c1cccc(OC)c1.
What is the InChIKey of N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide?
The InChIKey is ZSGYOEHWEGSTCF-RWANSRKNSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12(9-14(15)17-18)16-10(2)11-6-5-7-13(8-11)19-3/h5-8,10,12,16,18H,4,9H2,1-3H3,(H2,15,17)/t10-,12?/m1/s1.
What are the key properties of N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide?
N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide has a molecular weight of 265.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide is sourced from PubChem (CID 81373743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).