N-prop-2-enoxyprop-2-yn-1-amine

C6H9NO — CID 19860176

IUPACN-prop-2-enoxyprop-2-yn-1-amine
SMILESC#CCNOCC=C
InChIInChI=1S/C6H9NO/c1-3-5-7-8-6-4-2/h1,4,7H,2,5-6H2
InChIKeyIKDGNMPBZXJVKM-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.33
Rot. Bonds4

About N-prop-2-enoxyprop-2-yn-1-amine

N-prop-2-enoxyprop-2-yn-1-amine (PubChem CID 19860176) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-prop-2-enoxyprop-2-yn-1-amine.

Molecular Properties

Compound NameN-prop-2-enoxyprop-2-yn-1-amine
PubChem CID19860176
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-prop-2-enoxyprop-2-yn-1-amine
SMILESC#CCNOCC=C
InChIInChI=1S/C6H9NO/c1-3-5-7-8-6-4-2/h1,4,7H,2,5-6H2
InChIKeyIKDGNMPBZXJVKM-UHFFFAOYSA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.33
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-prop-2-enoxyprop-2-yn-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

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxyprop-2-yn-1-amine?
The IUPAC name of N-prop-2-enoxyprop-2-yn-1-amine (CID 19860176) is N-prop-2-enoxyprop-2-yn-1-amine.
What is the SMILES notation for N-prop-2-enoxyprop-2-yn-1-amine?
The canonical SMILES for N-prop-2-enoxyprop-2-yn-1-amine is C#CCNOCC=C.
What is the InChIKey of N-prop-2-enoxyprop-2-yn-1-amine?
The InChIKey is IKDGNMPBZXJVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-5-7-8-6-4-2/h1,4,7H,2,5-6H2.
What are the key properties of N-prop-2-enoxyprop-2-yn-1-amine?
N-prop-2-enoxyprop-2-yn-1-amine has a molecular weight of 111.14 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxyprop-2-yn-1-amine is sourced from PubChem (CID 19860176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).