2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol

C₉H₁₉NO₂ — CID 142999968

About 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol

2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol (PubChem CID 142999968) has the molecular formula C₉H₁₉NO₂ and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol.

Molecular Properties

• Compound Name: 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol
• PubChem CID: 142999968
• Molecular Formula: C₉H₁₉NO₂
• Molecular Weight: 173.26 g/mol
• Exact Mass: 173.14
• IUPAC Name: 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol
• SMILES: C=C(C)CCCC(N)(CO)CO
• InChI: InChI=1S/C9H19NO2/c1-8(2)4-3-5-9(10,6-11)7-12/h11-12H,1,3-7,10H2,2H3
• InChIKey: KDQUTYVZNROUJB-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 66.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.26
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?

The IUPAC name of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol (CID 142999968) is 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol.

What is the SMILES notation for 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?

The canonical SMILES for 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol is C=C(C)CCCC(N)(CO)CO.

What is the InChIKey of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?

The InChIKey is KDQUTYVZNROUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)4-3-5-9(10,6-11)7-12/h11-12H,1,3-7,10H2,2H3.

What are the key properties of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?

2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol has a molecular weight of 173.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol is sourced from PubChem (CID 142999968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142999968 — identifiers, structure, computed properties (public domain)

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