4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol

C9H17NO — CID 134217207

IUPAC4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol
SMILESC#CC(O)C(C)CNC(C)C
InChIInChI=1S/C9H17NO/c1-5-9(11)8(4)6-10-7(2)3/h1,7-11H,6H2,2-4H3
InChIKeyKZVSBCKTDWQCPT-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.61
Rot. Bonds4

About 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol

4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol (PubChem CID 134217207) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol.

Molecular Properties

Compound Name4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol
PubChem CID134217207
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol
SMILESC#CC(O)C(C)CNC(C)C
InChIInChI=1S/C9H17NO/c1-5-9(11)8(4)6-10-7(2)3/h1,7-11H,6H2,2-4H3
InChIKeyKZVSBCKTDWQCPT-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol?
The IUPAC name of 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol (CID 134217207) is 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol.
What is the SMILES notation for 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol?
The canonical SMILES for 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol is C#CC(O)C(C)CNC(C)C.
What is the InChIKey of 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol?
The InChIKey is KZVSBCKTDWQCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(11)8(4)6-10-7(2)3/h1,7-11H,6H2,2-4H3.
What are the key properties of 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol?
4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(propan-2-ylamino)pent-1-yn-3-ol is sourced from PubChem (CID 134217207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).