2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol

C7H15NO2 — CID 118136851

IUPAC2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol
SMILESC=C(C)NC(C)(CO)OC
InChIInChI=1S/C7H15NO2/c1-6(2)8-7(3,5-9)10-4/h8-9H,1,5H2,2-4H3
InChIKeyMDHBUTHKHIWNKY-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.46
Rot. Bonds4

About 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol

2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol (PubChem CID 118136851) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol
PubChem CID118136851
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol
SMILESC=C(C)NC(C)(CO)OC
InChIInChI=1S/C7H15NO2/c1-6(2)8-7(3,5-9)10-4/h8-9H,1,5H2,2-4H3
InChIKeyMDHBUTHKHIWNKY-UHFFFAOYSA-N
XLogP0.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 163466273
2,2,3-trimethylbut-3-en-1-ol
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2-(prop-1-en-2-ylamino)ethanol
CID 15413083
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
2,2,2-trimethoxyethanol;zirconium
CID 87320991
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
2,2-bis(hydroxymethyl)propane-1,3-diol;methyl 2-methylprop-2-enoate;oxolane
CID 159356669
3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol
CID 102380901
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
3-chloro-2-methoxypropane-1,2-diol
CID 91060134
(E)-4-methoxy-3-methyl-2-methylidenepent-3-en-1-ol
CID 89424137

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol?
The IUPAC name of 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol (CID 118136851) is 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol is C=C(C)NC(C)(CO)OC.
What is the InChIKey of 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol?
The InChIKey is MDHBUTHKHIWNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)8-7(3,5-9)10-4/h8-9H,1,5H2,2-4H3.
What are the key properties of 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol?
2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol has a molecular weight of 145.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(prop-1-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 118136851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).