N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide

C9H21N3O — CID 77026293

IUPACN'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
SMILESCCCCCNCC(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-3-4-5-6-11-7-8(2)9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeyGPIWZXIRMNDTPI-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.15
Rot. Bonds7

About N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide

N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide (PubChem CID 77026293) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
PubChem CID77026293
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN'-hydroxy-2-methyl-3-(pentylamino)propanimidamide
SMILESCCCCCNCC(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-3-4-5-6-11-7-8(2)9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12)
InChIKeyGPIWZXIRMNDTPI-UHFFFAOYSA-N
XLogP1.15
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.15
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

2-methyl-3-(pentylamino)propanamide
CID 43312009
3-(2-ethylhexylamino)-N'-hydroxy-2-methylpropanimidamide
CID 107815448
N'-hydroxy-2-(octylamino)propanimidamide
CID 115568476
3-(but-3-ynylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77027860
3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77030830
3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
CID 77028304
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76952622
1-(pentylamino)propan-2-ol
CID 3016247
(NE)-N-[1-(4-aminobutylamino)-2-methylpentan-3-ylidene]hydroxylamine
CID 139833638
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
1-(pentylamino)propan-2-ol;hydrate
CID 173220039

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide (CID 77026293) is N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide is CCCCCNCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide?
The InChIKey is GPIWZXIRMNDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-3-4-5-6-11-7-8(2)9(10)12-13/h8,11,13H,3-7H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide has a molecular weight of 187.29 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(pentylamino)propanimidamide is sourced from PubChem (CID 77026293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).