3-prop-2-ynoxypropan-1-amine

C6H11NO — CID 58683998

IUPAC3-prop-2-ynoxypropan-1-amine
SMILESC#CCOCCCN
InChIInChI=1S/C6H11NO/c1-2-5-8-6-3-4-7/h1H,3-7H2
InChIKeyLISPQCAYQQEBAS-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds4

About 3-prop-2-ynoxypropan-1-amine

3-prop-2-ynoxypropan-1-amine (PubChem CID 58683998) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-prop-2-ynoxypropan-1-amine.

Molecular Properties

Compound Name3-prop-2-ynoxypropan-1-amine
PubChem CID58683998
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-prop-2-ynoxypropan-1-amine
SMILESC#CCOCCCN
InChIInChI=1S/C6H11NO/c1-2-5-8-6-3-4-7/h1H,3-7H2
InChIKeyLISPQCAYQQEBAS-UHFFFAOYSA-N
XLogP-0.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxypropan-1-amine?
The IUPAC name of 3-prop-2-ynoxypropan-1-amine (CID 58683998) is 3-prop-2-ynoxypropan-1-amine.
What is the SMILES notation for 3-prop-2-ynoxypropan-1-amine?
The canonical SMILES for 3-prop-2-ynoxypropan-1-amine is C#CCOCCCN.
What is the InChIKey of 3-prop-2-ynoxypropan-1-amine?
The InChIKey is LISPQCAYQQEBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-5-8-6-3-4-7/h1H,3-7H2.
What are the key properties of 3-prop-2-ynoxypropan-1-amine?
3-prop-2-ynoxypropan-1-amine has a molecular weight of 113.16 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxypropan-1-amine is sourced from PubChem (CID 58683998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).