1-methoxypropan-2-amine;prop-2-yn-1-ol

C7H15NO2 — CID 145189711

IUPAC1-methoxypropan-2-amine;prop-2-yn-1-ol
SMILESC#CCO.COCC(C)N
InChIInChI=1S/C4H11NO.C3H4O/c1-4(5)3-6-2;1-2-3-4/h4H,3,5H2,1-2H3;1,4H,3H2
InChIKeyYTZABHCEFDBZNH-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.41
Rot. Bonds2

About 1-methoxypropan-2-amine;prop-2-yn-1-ol

1-methoxypropan-2-amine;prop-2-yn-1-ol (PubChem CID 145189711) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-methoxypropan-2-amine;prop-2-yn-1-ol.

Molecular Properties

Compound Name1-methoxypropan-2-amine;prop-2-yn-1-ol
PubChem CID145189711
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-methoxypropan-2-amine;prop-2-yn-1-ol
SMILESC#CCO.COCC(C)N
InChIInChI=1S/C4H11NO.C3H4O/c1-4(5)3-6-2;1-2-3-4/h4H,3,5H2,1-2H3;1,4H,3H2
InChIKeyYTZABHCEFDBZNH-UHFFFAOYSA-N
XLogP-0.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[(2R)-2-aminopropoxy]ethanol
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(3R)-3-amino-4-methoxybutan-1-ol
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1,1-diamino-3-methoxypropan-2-ol
CID 126732231
1-methoxy-2,2-dimethylpropane;prop-2-yn-1-ol
CID 88698683
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
3-(but-3-yn-2-ylamino)-4-methoxybutan-1-ol
CID 106159690
(3S)-4-methoxy-3-methylbutan-1-ol
CID 87593216
1-methoxybut-3-yn-2-ylphosphane
CID 123631279
7-methoxy-6-methylhept-1-yn-4-one
CID 105076443
CID 59269731
CID 59269731

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-amine;prop-2-yn-1-ol?
The IUPAC name of 1-methoxypropan-2-amine;prop-2-yn-1-ol (CID 145189711) is 1-methoxypropan-2-amine;prop-2-yn-1-ol.
What is the SMILES notation for 1-methoxypropan-2-amine;prop-2-yn-1-ol?
The canonical SMILES for 1-methoxypropan-2-amine;prop-2-yn-1-ol is C#CCO.COCC(C)N.
What is the InChIKey of 1-methoxypropan-2-amine;prop-2-yn-1-ol?
The InChIKey is YTZABHCEFDBZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H4O/c1-4(5)3-6-2;1-2-3-4/h4H,3,5H2,1-2H3;1,4H,3H2.
What are the key properties of 1-methoxypropan-2-amine;prop-2-yn-1-ol?
1-methoxypropan-2-amine;prop-2-yn-1-ol has a molecular weight of 145.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-amine;prop-2-yn-1-ol is sourced from PubChem (CID 145189711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).