N-prop-2-enoxypropan-2-amine

C6H13NO — CID 20761528

IUPACN-prop-2-enoxypropan-2-amine
SMILESC=CCONC(C)C
InChIInChI=1S/C6H13NO/c1-4-5-8-7-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyIIUNWZDFGSUMBQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.10
Rot. Bonds4

About N-prop-2-enoxypropan-2-amine

N-prop-2-enoxypropan-2-amine (PubChem CID 20761528) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-prop-2-enoxypropan-2-amine.

Molecular Properties

Compound NameN-prop-2-enoxypropan-2-amine
PubChem CID20761528
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-prop-2-enoxypropan-2-amine
SMILESC=CCONC(C)C
InChIInChI=1S/C6H13NO/c1-4-5-8-7-6(2)3/h4,6-7H,1,5H2,2-3H3
InChIKeyIIUNWZDFGSUMBQ-UHFFFAOYSA-N
XLogP1.10
TPSA21.26 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 ≤ 51.10
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'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxypropan-2-amine?
The IUPAC name of N-prop-2-enoxypropan-2-amine (CID 20761528) is N-prop-2-enoxypropan-2-amine.
What is the SMILES notation for N-prop-2-enoxypropan-2-amine?
The canonical SMILES for N-prop-2-enoxypropan-2-amine is C=CCONC(C)C.
What is the InChIKey of N-prop-2-enoxypropan-2-amine?
The InChIKey is IIUNWZDFGSUMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5-8-7-6(2)3/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-prop-2-enoxypropan-2-amine?
N-prop-2-enoxypropan-2-amine has a molecular weight of 115.18 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxypropan-2-amine is sourced from PubChem (CID 20761528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).