3-prop-2-enoxypropan-1-amine

C6H13NO — CID 11205734

IUPAC3-prop-2-enoxypropan-1-amine
SMILESC=CCOCCCN
InChIInChI=1S/C6H13NO/c1-2-5-8-6-3-4-7/h2H,1,3-7H2
InChIKeyNIGGRFSYIUCXTE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds5

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

3-prop-2-enoxypropan-1-amine (PubChem CID 11205734) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-prop-2-enoxypropan-1-amine.

Molecular Properties

Compound Name3-prop-2-enoxypropan-1-amine
PubChem CID11205734
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-prop-2-enoxypropan-1-amine
SMILESC=CCOCCCN
InChIInChI=1S/C6H13NO/c1-2-5-8-6-3-4-7/h2H,1,3-7H2
InChIKeyNIGGRFSYIUCXTE-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxypropan-1-amine?
The IUPAC name of 3-prop-2-enoxypropan-1-amine (CID 11205734) is 3-prop-2-enoxypropan-1-amine.
What is the SMILES notation for 3-prop-2-enoxypropan-1-amine?
The canonical SMILES for 3-prop-2-enoxypropan-1-amine is C=CCOCCCN.
What is the InChIKey of 3-prop-2-enoxypropan-1-amine?
The InChIKey is NIGGRFSYIUCXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-5-8-6-3-4-7/h2H,1,3-7H2.
What are the key properties of 3-prop-2-enoxypropan-1-amine?
3-prop-2-enoxypropan-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxypropan-1-amine is sourced from PubChem (CID 11205734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).