5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide

C13H20ClN3O — CID 81378812

IUPAC5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide
SMILESC[C@H](NCCCC/C(N)=N/O)c1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-10(11-6-2-3-7-12(11)14)16-9-5-4-8-13(15)17-18/h2-3,6-7,10,16,18H,4-5,8-9H2,1H3,(H2,15,17)/t10-/m0/s1
InChIKeySVUKOJYEXJEFQM-JTQLQIEISA-N
MW269.78 g/mol
LogP2.91
Rot. Bonds7

About 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide

5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide (PubChem CID 81378812) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide
PubChem CID81378812
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide
SMILESC[C@H](NCCCC/C(N)=N/O)c1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-10(11-6-2-3-7-12(11)14)16-9-5-4-8-13(15)17-18/h2-3,6-7,10,16,18H,4-5,8-9H2,1H3,(H2,15,17)/t10-/m0/s1
InChIKeySVUKOJYEXJEFQM-JTQLQIEISA-N
XLogP2.91
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.91
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

3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
CID 81378564
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 81378246
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
N-[(1S)-1-(2-chlorophenyl)ethyl]pent-4-yn-1-amine
CID 103916408
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28649407
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide
CID 94036457
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 77032296
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81365911
2-[[1-(2-chlorophenyl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031145

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide (CID 81378812) is 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide is C[C@H](NCCCC/C(N)=N/O)c1ccccc1Cl.
What is the InChIKey of 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide?
The InChIKey is SVUKOJYEXJEFQM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10(11-6-2-3-7-12(11)14)16-9-5-4-8-13(15)17-18/h2-3,6-7,10,16,18H,4-5,8-9H2,1H3,(H2,15,17)/t10-/m0/s1.
What are the key properties of 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide?
5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide has a molecular weight of 269.78 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 81378812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).