2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride

C10H23ClN2O — CID 117067177

IUPAC2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)CC(C)CC(C)(C)C
InChIInChI=1S/C10H22N2O.ClH/c1-7(6-10(2,3)4)5-8(13)9(11)12;/h7-8,13H,5-6H2,1-4H3,(H3,11,12);1H
InChIKeyGNIOPCAAIZEOBA-UHFFFAOYSA-N
MW222.76 g/mol
LogP2.17
Rot. Bonds4

About 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride

2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride (PubChem CID 117067177) has the molecular formula C10H23ClN2O and a molecular weight of 222.76 g/mol. Its IUPAC name is 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride
PubChem CID117067177
Molecular FormulaC10H23ClN2O
Molecular Weight222.76 g/mol
Exact Mass222.15
IUPAC Name2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(O)CC(C)CC(C)(C)C
InChIInChI=1S/C10H22N2O.ClH/c1-7(6-10(2,3)4)5-8(13)9(11)12;/h7-8,13H,5-6H2,1-4H3,(H3,11,12);1H
InChIKeyGNIOPCAAIZEOBA-UHFFFAOYSA-N
XLogP2.17
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-2-(4-propylcyclohexyl)ethanimidamide
CID 118561965
(2R,4R)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 99943238
(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 99943239
2-Hydroxy-4,6,6-trimethylheptanimidamide
CID 117067178
(2S,4R)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 129373454
(2S,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
CID 129373455
Benzeneethanimidamide, alpha-hydroxy-(9CI)
CID 178871538

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride?
The IUPAC name of 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride (CID 117067177) is 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride?
The canonical SMILES for 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(O)CC(C)CC(C)(C)C.
What is the InChIKey of 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride?
The InChIKey is GNIOPCAAIZEOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.ClH/c1-7(6-10(2,3)4)5-8(13)9(11)12;/h7-8,13H,5-6H2,1-4H3,(H3,11,12);1H.
What are the key properties of 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride?
2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride has a molecular weight of 222.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,6,6-trimethylheptanimidamide;hydrochloride is sourced from PubChem (CID 117067177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).