N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide

C12H25N3O — CID 77073768

IUPACN'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide
SMILESCC1CCCCCC1NCCCC(N)=NO
InChIInChI=1S/C12H25N3O/c1-10-6-3-2-4-7-11(10)14-9-5-8-12(13)15-16/h10-11,14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyQJEOOWBGJIFFGX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.07
Rot. Bonds5

About N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide

N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide (PubChem CID 77073768) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide
PubChem CID77073768
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide
SMILESCC1CCCCCC1NCCCC(N)=NO
InChIInChI=1S/C12H25N3O/c1-10-6-3-2-4-7-11(10)14-9-5-8-12(13)15-16/h10-11,14,16H,2-9H2,1H3,(H2,13,15)
InChIKeyQJEOOWBGJIFFGX-UHFFFAOYSA-N
XLogP2.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.07
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-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073748
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N'-hydroxybutanimidamide
CID 77031464
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
N,N-dimethyl-4-[(2-methylcyclopentyl)amino]butanamide
CID 63278012
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
N'-hydroxy-5-(2-methylcyclohexyl)oxypentanimidamide
CID 109374679
N'-hydroxy-5-[methyl-(2-methylcyclohexyl)amino]pentanimidamide
CID 55005421
N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
CID 76952873
5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
CID 81392075

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide (CID 77073768) is N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide is CC1CCCCCC1NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide?
The InChIKey is QJEOOWBGJIFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-6-3-2-4-7-11(10)14-9-5-8-12(13)15-16/h10-11,14,16H,2-9H2,1H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide?
N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methylcycloheptyl)amino]butanimidamide is sourced from PubChem (CID 77073768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).