2-propoxyprop-2-en-1-amine

C6H13NO — CID 129234391

IUPAC2-propoxyprop-2-en-1-amine
SMILESC=C(CN)OCCC
InChIInChI=1S/C6H13NO/c1-3-4-8-6(2)5-7/h2-5,7H2,1H3
InChIKeyHLCZODFLNRSAQY-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.89
Rot. Bonds4

About 2-propoxyprop-2-en-1-amine

2-propoxyprop-2-en-1-amine (PubChem CID 129234391) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-propoxyprop-2-en-1-amine.

Molecular Properties

Compound Name2-propoxyprop-2-en-1-amine
PubChem CID129234391
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-propoxyprop-2-en-1-amine
SMILESC=C(CN)OCCC
InChIInChI=1S/C6H13NO/c1-3-4-8-6(2)5-7/h2-5,7H2,1H3
InChIKeyHLCZODFLNRSAQY-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-propoxyprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propoxybut-1-ene
CID 22498061
2-propoxyprop-2-en-1-ol
CID 89416516
1-(1-bromoethenoxy)propane
CID 59930688
1-(1-fluoroethenoxy)propane
CID 22996827
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
2-(3-aminoprop-1-en-2-yloxy)prop-2-en-1-amine
CID 87931540
3-ethenoxy-2-propoxyprop-1-ene
CID 87965615
N,N-dimethyl-1-propoxyethenamine
CID 142050908
1-propoxyethenylhydrazine
CID 157287762
propyl 2-bromoprop-2-enoate
CID 71576373
azane;propyl 2-methylprop-2-enoate
CID 172812841
propyl 2-silylprop-2-enoate
CID 173152802

Frequently Asked Questions

What is the IUPAC name of 2-propoxyprop-2-en-1-amine?
The IUPAC name of 2-propoxyprop-2-en-1-amine (CID 129234391) is 2-propoxyprop-2-en-1-amine.
What is the SMILES notation for 2-propoxyprop-2-en-1-amine?
The canonical SMILES for 2-propoxyprop-2-en-1-amine is C=C(CN)OCCC.
What is the InChIKey of 2-propoxyprop-2-en-1-amine?
The InChIKey is HLCZODFLNRSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-8-6(2)5-7/h2-5,7H2,1H3.
What are the key properties of 2-propoxyprop-2-en-1-amine?
2-propoxyprop-2-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyprop-2-en-1-amine is sourced from PubChem (CID 129234391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).