(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide

C10H22N2O — CID 99943239

IUPAC(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
SMILES[H]/N=C(\N)[C@H](O)C[C@@H](C)CC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-7(6-10(2,3)4)5-8(13)9(11)12/h7-8,13H,5-6H2,1-4H3,(H3,11,12)/t7-,8-/m1/s1
InChIKeyXKOYRINHYXCTFX-HTQZYQBOSA-N
MW186.30 g/mol
LogP1.75
Rot. Bonds4

About (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide

(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide (PubChem CID 99943239) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide.

Molecular Properties

Compound Name(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
PubChem CID99943239
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide
SMILES[H]/N=C(\N)[C@H](O)C[C@@H](C)CC(C)(C)C
InChIInChI=1S/C10H22N2O/c1-7(6-10(2,3)4)5-8(13)9(11)12/h7-8,13H,5-6H2,1-4H3,(H3,11,12)/t7-,8-/m1/s1
InChIKeyXKOYRINHYXCTFX-HTQZYQBOSA-N
XLogP1.75
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.75
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 (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide?
The IUPAC name of (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide (CID 99943239) is (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide.
What is the SMILES notation for (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide?
The canonical SMILES for (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide is [H]/N=C(\N)[C@H](O)C[C@@H](C)CC(C)(C)C.
What is the InChIKey of (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide?
The InChIKey is XKOYRINHYXCTFX-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(6-10(2,3)4)5-8(13)9(11)12/h7-8,13H,5-6H2,1-4H3,(H3,11,12)/t7-,8-/m1/s1.
What are the key properties of (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide?
(2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide has a molecular weight of 186.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-hydroxy-4,6,6-trimethylheptanimidamide is sourced from PubChem (CID 99943239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).