4-hydroxy-6,6-dimethylheptanimidamide

C9H20N2O — CID 157429006

IUPAC4-hydroxy-6,6-dimethylheptanimidamide
SMILES[H]/N=C(\N)CCC(O)CC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-9(2,3)6-7(12)4-5-8(10)11/h7,12H,4-6H2,1-3H3,(H3,10,11)
InChIKeyWDGQMPVVMKOZQZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.50
Rot. Bonds4

About 4-hydroxy-6,6-dimethylheptanimidamide

4-hydroxy-6,6-dimethylheptanimidamide (PubChem CID 157429006) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-hydroxy-6,6-dimethylheptanimidamide.

Molecular Properties

Compound Name4-hydroxy-6,6-dimethylheptanimidamide
PubChem CID157429006
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-hydroxy-6,6-dimethylheptanimidamide
SMILES[H]/N=C(\N)CCC(O)CC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-9(2,3)6-7(12)4-5-8(10)11/h7,12H,4-6H2,1-3H3,(H3,10,11)
InChIKeyWDGQMPVVMKOZQZ-UHFFFAOYSA-N
XLogP1.50
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.50
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

(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
(4R)-4-hydroxy-5,5-dimethylhexanimidamide
CID 157429004
(4S)-4-hydroxy-5,5-dimethylhexanimidamide
CID 157429005
5-Hydroxy-3-methylheptanimidamide
CID 158806366
5-Hydroxy-4-methylheptanimidamide
CID 158806367
4-Hydroxy-3,5-dimethylhexanimidamide
CID 158806368
4-Hydroxy-3-methylheptanimidamide
CID 158806369
4-Hydroxy-3-methylhexanimidamide
CID 160313506

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6,6-dimethylheptanimidamide?
The IUPAC name of 4-hydroxy-6,6-dimethylheptanimidamide (CID 157429006) is 4-hydroxy-6,6-dimethylheptanimidamide.
What is the SMILES notation for 4-hydroxy-6,6-dimethylheptanimidamide?
The canonical SMILES for 4-hydroxy-6,6-dimethylheptanimidamide is [H]/N=C(\N)CCC(O)CC(C)(C)C.
What is the InChIKey of 4-hydroxy-6,6-dimethylheptanimidamide?
The InChIKey is WDGQMPVVMKOZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,3)6-7(12)4-5-8(10)11/h7,12H,4-6H2,1-3H3,(H3,10,11).
What are the key properties of 4-hydroxy-6,6-dimethylheptanimidamide?
4-hydroxy-6,6-dimethylheptanimidamide has a molecular weight of 172.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6,6-dimethylheptanimidamide is sourced from PubChem (CID 157429006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).