N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide

C10H22N2O2 — CID 77063203

IUPACN'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
SMILESCCCOCCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H22N2O2/c1-4-7-14-8-5-6-10(2,3)9(11)12-13/h13H,4-8H2,1-3H3,(H2,11,12)
InChIKeyYIGMTUKCPSMRRR-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.97
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide

N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide (PubChem CID 77063203) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
PubChem CID77063203
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
SMILESCCCOCCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H22N2O2/c1-4-7-14-8-5-6-10(2,3)9(11)12-13/h13H,4-8H2,1-3H3,(H2,11,12)
InChIKeyYIGMTUKCPSMRRR-UHFFFAOYSA-N
XLogP1.97
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
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-propoxybutanimidamide
CID 77062773
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711866
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063177
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
CID 82944389
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide (CID 77063203) is N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide is CCCOCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide?
The InChIKey is YIGMTUKCPSMRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-7-14-8-5-6-10(2,3)9(11)12-13/h13H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide?
N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide is sourced from PubChem (CID 77063203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).