3-amino-4-methylpent-1-yn-3-ol

C6H11NO — CID 155417570

IUPAC3-amino-4-methylpent-1-yn-3-ol
SMILESC#CC(N)(O)C(C)C
InChIInChI=1S/C6H11NO/c1-4-6(7,8)5(2)3/h1,5,8H,7H2,2-3H3
InChIKeyGDQWNRCTVRWKHC-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.08
Rot. Bonds1

About 3-amino-4-methylpent-1-yn-3-ol

3-amino-4-methylpent-1-yn-3-ol (PubChem CID 155417570) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-amino-4-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name3-amino-4-methylpent-1-yn-3-ol
PubChem CID155417570
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-amino-4-methylpent-1-yn-3-ol
SMILESC#CC(N)(O)C(C)C
InChIInChI=1S/C6H11NO/c1-4-6(7,8)5(2)3/h1,5,8H,7H2,2-3H3
InChIKeyGDQWNRCTVRWKHC-UHFFFAOYSA-N
XLogP-0.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylpent-1-yn-3-ol?
The IUPAC name of 3-amino-4-methylpent-1-yn-3-ol (CID 155417570) is 3-amino-4-methylpent-1-yn-3-ol.
What is the SMILES notation for 3-amino-4-methylpent-1-yn-3-ol?
The canonical SMILES for 3-amino-4-methylpent-1-yn-3-ol is C#CC(N)(O)C(C)C.
What is the InChIKey of 3-amino-4-methylpent-1-yn-3-ol?
The InChIKey is GDQWNRCTVRWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(7,8)5(2)3/h1,5,8H,7H2,2-3H3.
What are the key properties of 3-amino-4-methylpent-1-yn-3-ol?
3-amino-4-methylpent-1-yn-3-ol has a molecular weight of 113.16 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylpent-1-yn-3-ol is sourced from PubChem (CID 155417570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).