1-prop-2-enoxypropan-2-amine

C6H13NO — CID 58684247

IUPAC1-prop-2-enoxypropan-2-amine
SMILESC=CCOCC(C)N
InChIInChI=1S/C6H13NO/c1-3-4-8-5-6(2)7/h3,6H,1,4-5,7H2,2H3
InChIKeyZFJHYZSNWJMEFW-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds4

About 1-prop-2-enoxypropan-2-amine

1-prop-2-enoxypropan-2-amine (PubChem CID 58684247) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-prop-2-enoxypropan-2-amine.

Molecular Properties

Compound Name1-prop-2-enoxypropan-2-amine
PubChem CID58684247
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-prop-2-enoxypropan-2-amine
SMILESC=CCOCC(C)N
InChIInChI=1S/C6H13NO/c1-3-4-8-5-6(2)7/h3,6H,1,4-5,7H2,2H3
InChIKeyZFJHYZSNWJMEFW-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-yloxy)ethan-1-amine
CID 261273
2-Crotyloxy ethylamine
CID 72391086
(2-Allyloxy-ethyl)-methyl-amine
CID 58684300
2-Methyl-1-prop-2-enoxypropan-2-amine
CID 261278
2-Prop-2-enoxybutan-1-amine
CID 14954766
3-Allyloxy-2-aminopropionitrile
CID 19739900
1-[(E)-3-aminoprop-2-enoxy]propan-2-amine
CID 20780509
1-Prop-2-enoxypropan-1-amine
CID 21698533
(S)-2-Allyloxy-propylamine
CID 55273879
(S)-1-Allyloxymethyl-2-methylpropylamine
CID 58360494
2-(Prop-2-en-1-yloxy)propan-1-amine
CID 58684201
2-[(E)-but-2-enoxy]ethanamine
CID 58684399

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypropan-2-amine?
The IUPAC name of 1-prop-2-enoxypropan-2-amine (CID 58684247) is 1-prop-2-enoxypropan-2-amine.
What is the SMILES notation for 1-prop-2-enoxypropan-2-amine?
The canonical SMILES for 1-prop-2-enoxypropan-2-amine is C=CCOCC(C)N.
What is the InChIKey of 1-prop-2-enoxypropan-2-amine?
The InChIKey is ZFJHYZSNWJMEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-8-5-6(2)7/h3,6H,1,4-5,7H2,2H3.
What are the key properties of 1-prop-2-enoxypropan-2-amine?
1-prop-2-enoxypropan-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypropan-2-amine is sourced from PubChem (CID 58684247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).