6-amino-5-methylheptane-3,3,4,4-tetrol

C8H19NO4 — CID 143704777

IUPAC6-amino-5-methylheptane-3,3,4,4-tetrol
SMILESCCC(O)(O)C(O)(O)C(C)C(C)N
InChIInChI=1S/C8H19NO4/c1-4-7(10,11)8(12,13)5(2)6(3)9/h5-6,10-13H,4,9H2,1-3H3
InChIKeyKSUFWSVWDXOZRY-UHFFFAOYSA-N
MW193.24 g/mol
LogP-1.26
Rot. Bonds4

About 6-amino-5-methylheptane-3,3,4,4-tetrol

6-amino-5-methylheptane-3,3,4,4-tetrol (PubChem CID 143704777) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is 6-amino-5-methylheptane-3,3,4,4-tetrol.

Molecular Properties

Compound Name6-amino-5-methylheptane-3,3,4,4-tetrol
PubChem CID143704777
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name6-amino-5-methylheptane-3,3,4,4-tetrol
SMILESCCC(O)(O)C(O)(O)C(C)C(C)N
InChIInChI=1S/C8H19NO4/c1-4-7(10,11)8(12,13)5(2)6(3)9/h5-6,10-13H,4,9H2,1-3H3
InChIKeyKSUFWSVWDXOZRY-UHFFFAOYSA-N
XLogP-1.26
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-amino-5-methylheptane-3,3,4,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,4,4-trimethylhexan-2-ol
CID 123389058
2-(3-aminobutan-2-yloxy)butan-2-ol
CID 87462188
2,3-diamino-4,5,6,7-tetramethylnonan-5-ol
CID 138647319
3-aminopentane-1,1,1,2,2-pentol
CID 90384532
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
2-methylpentane-3,3-diol
CID 87103548
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
CID 59039431
4-carbamoyl-2,3,4-trimethylhexanoic acid
CID 139381047
3-amino-5-methylhexan-3-ol
CID 19828897
3,3-diethylhexane-1,6-diol
CID 87792714
methanamine;2-methylbutan-2-ol
CID 142079467
propan-2-amine;propane;propan-2-ol
CID 161404449

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methylheptane-3,3,4,4-tetrol?
The IUPAC name of 6-amino-5-methylheptane-3,3,4,4-tetrol (CID 143704777) is 6-amino-5-methylheptane-3,3,4,4-tetrol.
What is the SMILES notation for 6-amino-5-methylheptane-3,3,4,4-tetrol?
The canonical SMILES for 6-amino-5-methylheptane-3,3,4,4-tetrol is CCC(O)(O)C(O)(O)C(C)C(C)N.
What is the InChIKey of 6-amino-5-methylheptane-3,3,4,4-tetrol?
The InChIKey is KSUFWSVWDXOZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4/c1-4-7(10,11)8(12,13)5(2)6(3)9/h5-6,10-13H,4,9H2,1-3H3.
What are the key properties of 6-amino-5-methylheptane-3,3,4,4-tetrol?
6-amino-5-methylheptane-3,3,4,4-tetrol has a molecular weight of 193.24 g/mol, XLogP of -1.26, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methylheptane-3,3,4,4-tetrol is sourced from PubChem (CID 143704777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).