4-(1-aminoethyl)-5-methylideneoxan-3-amine

C8H16N2O — CID 153388189

IUPAC4-(1-aminoethyl)-5-methylideneoxan-3-amine
SMILESC=C1COCC(N)C1C(C)N
InChIInChI=1S/C8H16N2O/c1-5-3-11-4-7(10)8(5)6(2)9/h6-8H,1,3-4,9-10H2,2H3
InChIKeyTXMZDXUTTQGWHX-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.14
Rot. Bonds1

About 4-(1-aminoethyl)-5-methylideneoxan-3-amine

4-(1-aminoethyl)-5-methylideneoxan-3-amine (PubChem CID 153388189) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(1-aminoethyl)-5-methylideneoxan-3-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-5-methylideneoxan-3-amine
PubChem CID153388189
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(1-aminoethyl)-5-methylideneoxan-3-amine
SMILESC=C1COCC(N)C1C(C)N
InChIInChI=1S/C8H16N2O/c1-5-3-11-4-7(10)8(5)6(2)9/h6-8H,1,3-4,9-10H2,2H3
InChIKeyTXMZDXUTTQGWHX-UHFFFAOYSA-N
XLogP-0.14
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-methylideneoxan-3-amine
CID 140663394
4-(1-Aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene
CID 153388188
5-Methylideneoxan-3-amine
CID 170644525

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-5-methylideneoxan-3-amine?
The IUPAC name of 4-(1-aminoethyl)-5-methylideneoxan-3-amine (CID 153388189) is 4-(1-aminoethyl)-5-methylideneoxan-3-amine.
What is the SMILES notation for 4-(1-aminoethyl)-5-methylideneoxan-3-amine?
The canonical SMILES for 4-(1-aminoethyl)-5-methylideneoxan-3-amine is C=C1COCC(N)C1C(C)N.
What is the InChIKey of 4-(1-aminoethyl)-5-methylideneoxan-3-amine?
The InChIKey is TXMZDXUTTQGWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5-3-11-4-7(10)8(5)6(2)9/h6-8H,1,3-4,9-10H2,2H3.
What are the key properties of 4-(1-aminoethyl)-5-methylideneoxan-3-amine?
4-(1-aminoethyl)-5-methylideneoxan-3-amine has a molecular weight of 156.23 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-5-methylideneoxan-3-amine is sourced from PubChem (CID 153388189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).