(4S)-4-hydroxy-5,5-dimethylhexanimidamide

C8H18N2O — CID 157429005

IUPAC(4S)-4-hydroxy-5,5-dimethylhexanimidamide
SMILES[H]/N=C(\N)CC[C@H](O)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)6(11)4-5-7(9)10/h6,11H,4-5H2,1-3H3,(H3,9,10)/t6-/m0/s1
InChIKeyMBDOJDPNTRJCIV-LURJTMIESA-N
MW158.24 g/mol
LogP1.11
Rot. Bonds3

About (4S)-4-hydroxy-5,5-dimethylhexanimidamide

(4S)-4-hydroxy-5,5-dimethylhexanimidamide (PubChem CID 157429005) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S)-4-hydroxy-5,5-dimethylhexanimidamide.

Molecular Properties

Compound Name(4S)-4-hydroxy-5,5-dimethylhexanimidamide
PubChem CID157429005
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(4S)-4-hydroxy-5,5-dimethylhexanimidamide
SMILES[H]/N=C(\N)CC[C@H](O)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-8(2,3)6(11)4-5-7(9)10/h6,11H,4-5H2,1-3H3,(H3,9,10)/t6-/m0/s1
InChIKeyMBDOJDPNTRJCIV-LURJTMIESA-N
XLogP1.11
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-5,5-dimethylhexanimidamide?
The IUPAC name of (4S)-4-hydroxy-5,5-dimethylhexanimidamide (CID 157429005) is (4S)-4-hydroxy-5,5-dimethylhexanimidamide.
What is the SMILES notation for (4S)-4-hydroxy-5,5-dimethylhexanimidamide?
The canonical SMILES for (4S)-4-hydroxy-5,5-dimethylhexanimidamide is [H]/N=C(\N)CC[C@H](O)C(C)(C)C.
What is the InChIKey of (4S)-4-hydroxy-5,5-dimethylhexanimidamide?
The InChIKey is MBDOJDPNTRJCIV-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)6(11)4-5-7(9)10/h6,11H,4-5H2,1-3H3,(H3,9,10)/t6-/m0/s1.
What are the key properties of (4S)-4-hydroxy-5,5-dimethylhexanimidamide?
(4S)-4-hydroxy-5,5-dimethylhexanimidamide has a molecular weight of 158.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-5,5-dimethylhexanimidamide is sourced from PubChem (CID 157429005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).