1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol

C9H17NO2 — CID 60649306

IUPAC1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
SMILESC#CCNCC(O)COC(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-10-6-9(11)7-12-8(2)3/h1,8-11H,5-7H2,2-3H3
InChIKeySOUUNRIRWIFKDX-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.00
Rot. Bonds6

About 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol

1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol (PubChem CID 60649306) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
PubChem CID60649306
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
SMILESC#CCNCC(O)COC(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-10-6-9(11)7-12-8(2)3/h1,8-11H,5-7H2,2-3H3
InChIKeySOUUNRIRWIFKDX-UHFFFAOYSA-N
XLogP-0.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-(prop-2-ynylamino)butan-2-ol
CID 60885196
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
CID 62273506
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-N,N-dimethylacetamide
CID 60901800
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683120
1-(hex-5-ynylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106211311

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol (CID 60649306) is 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol is C#CCNCC(O)COC(C)C.
What is the InChIKey of 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol?
The InChIKey is SOUUNRIRWIFKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-10-6-9(11)7-12-8(2)3/h1,8-11H,5-7H2,2-3H3.
What are the key properties of 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol?
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol has a molecular weight of 171.24 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol is sourced from PubChem (CID 60649306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).