N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide

C10H21N3O — CID 77028700

IUPACN'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
SMILESCC(CNC1CCCC1C)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-7-4-3-5-9(7)12-6-8(2)10(11)13-14/h7-9,12,14H,3-6H2,1-2H3,(H2,11,13)
InChIKeyWRQOJDPLWPHHNI-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.15
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide (PubChem CID 77028700) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
PubChem CID77028700
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
SMILESCC(CNC1CCCC1C)C(N)=NO
InChIInChI=1S/C10H21N3O/c1-7-4-3-5-9(7)12-6-8(2)10(11)13-14/h7-9,12,14H,3-6H2,1-2H3,(H2,11,13)
InChIKeyWRQOJDPLWPHHNI-UHFFFAOYSA-N
XLogP1.15
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2-ethylcyclohexyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77030866
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
CID 77028829
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
CID 77030977
2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 115688826
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
N'-hydroxy-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methylpropanimidamide
CID 77056872
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441063
N-(3-methoxy-2-methylpropyl)-2-methylcyclopentan-1-amine
CID 65045798

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide (CID 77028700) is N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide is CC(CNC1CCCC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide?
The InChIKey is WRQOJDPLWPHHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7-4-3-5-9(7)12-6-8(2)10(11)13-14/h7-9,12,14H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.15, 4 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-[(2-methylcyclopentyl)amino]propanimidamide is sourced from PubChem (CID 77028700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).