2-(prop-2-enoxymethyl)prop-2-en-1-amine

C7H13NO — CID 103074320

IUPAC2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CN
InChIInChI=1S/C7H13NO/c1-3-4-9-6-7(2)5-8/h3H,1-2,4-6,8H2
InChIKeyLFAWBYXQENJUQG-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.70
Rot. Bonds5

About 2-(prop-2-enoxymethyl)prop-2-en-1-amine

2-(prop-2-enoxymethyl)prop-2-en-1-amine (PubChem CID 103074320) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)prop-2-en-1-amine
PubChem CID103074320
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CN
InChIInChI=1S/C7H13NO/c1-3-4-9-6-7(2)5-8/h3H,1-2,4-6,8H2
InChIKeyLFAWBYXQENJUQG-UHFFFAOYSA-N
XLogP0.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.70
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

3-(Prop-2-en-1-yloxy)propan-1-amine
CID 11205734
(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 19858177
(Z)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 52914478
2-(Ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 54519097
2-(2,2,2-Trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074347
2-(2,2-Difluoroethoxymethyl)prop-2-en-1-amine
CID 103075032
2-(3,3,3-Trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075060
2-(Ethoxymethyl)buta-2,3-dien-1-amine
CID 19894398
3-(2-Methylprop-2-enoxy)propan-1-amine
CID 54056372
2-Methyl-3-prop-2-enoxypropan-1-amine
CID 103635722
2,5-Dihydrofuran-3-ylmethanamine
CID 157903531
(E)-4-ethoxy-3-methylbut-2-en-1-amine
CID 55290086

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(prop-2-enoxymethyl)prop-2-en-1-amine (CID 103074320) is 2-(prop-2-enoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(prop-2-enoxymethyl)prop-2-en-1-amine is C=CCOCC(=C)CN.
What is the InChIKey of 2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The InChIKey is LFAWBYXQENJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-9-6-7(2)5-8/h3H,1-2,4-6,8H2.
What are the key properties of 2-(prop-2-enoxymethyl)prop-2-en-1-amine?
2-(prop-2-enoxymethyl)prop-2-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).