2-methyl-3-prop-2-enoxypropan-1-amine

C7H15NO — CID 103635722

IUPAC2-methyl-3-prop-2-enoxypropan-1-amine
SMILESC=CCOCC(C)CN
InChIInChI=1S/C7H15NO/c1-3-4-9-6-7(2)5-8/h3,7H,1,4-6,8H2,2H3
InChIKeyWVVCDUQTWLONOJ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.78
Rot. Bonds5

About 2-methyl-3-prop-2-enoxypropan-1-amine

2-methyl-3-prop-2-enoxypropan-1-amine (PubChem CID 103635722) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-prop-2-enoxypropan-1-amine
PubChem CID103635722
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methyl-3-prop-2-enoxypropan-1-amine
SMILESC=CCOCC(C)CN
InChIInChI=1S/C7H15NO/c1-3-4-9-6-7(2)5-8/h3,7H,1,4-6,8H2,2H3
InChIKeyWVVCDUQTWLONOJ-UHFFFAOYSA-N
XLogP0.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enoxypropan-1-amine?
The IUPAC name of 2-methyl-3-prop-2-enoxypropan-1-amine (CID 103635722) is 2-methyl-3-prop-2-enoxypropan-1-amine.
What is the SMILES notation for 2-methyl-3-prop-2-enoxypropan-1-amine?
The canonical SMILES for 2-methyl-3-prop-2-enoxypropan-1-amine is C=CCOCC(C)CN.
What is the InChIKey of 2-methyl-3-prop-2-enoxypropan-1-amine?
The InChIKey is WVVCDUQTWLONOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-9-6-7(2)5-8/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 2-methyl-3-prop-2-enoxypropan-1-amine?
2-methyl-3-prop-2-enoxypropan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 103635722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).