4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene

C16H38N2O — CID 153388188

IUPAC4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene
SMILESC=C.C=C1COCC(N)C1C(C)N.CC.CC.CC
InChIInChI=1S/C8H16N2O.3C2H6.C2H4/c1-5-3-11-4-7(10)8(5)6(2)9;4*1-2/h6-8H,1,3-4,9-10H2,2H3;3*1-2H3;1-2H2
InChIKeyIPQQVJFLKRWOGF-UHFFFAOYSA-N
MW274.49 g/mol
LogP3.74
Rot. Bonds1

About 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene

4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene (PubChem CID 153388188) has the molecular formula C16H38N2O and a molecular weight of 274.49 g/mol. Its IUPAC name is 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene.

Molecular Properties

Compound Name4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene
PubChem CID153388188
Molecular FormulaC16H38N2O
Molecular Weight274.49 g/mol
Exact Mass274.30
IUPAC Name4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene
SMILESC=C.C=C1COCC(N)C1C(C)N.CC.CC.CC
InChIInChI=1S/C8H16N2O.3C2H6.C2H4/c1-5-3-11-4-7(10)8(5)6(2)9;4*1-2/h6-8H,1,3-4,9-10H2,2H3;3*1-2H3;1-2H2
InChIKeyIPQQVJFLKRWOGF-UHFFFAOYSA-N
XLogP3.74
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 53.74
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

4-(1-Aminoethyl)-5-methylideneoxan-3-amine
CID 153388189

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene?
The IUPAC name of 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene (CID 153388188) is 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene.
What is the SMILES notation for 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene?
The canonical SMILES for 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene is C=C.C=C1COCC(N)C1C(C)N.CC.CC.CC.
What is the InChIKey of 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene?
The InChIKey is IPQQVJFLKRWOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.3C2H6.C2H4/c1-5-3-11-4-7(10)8(5)6(2)9;4*1-2/h6-8H,1,3-4,9-10H2,2H3;3*1-2H3;1-2H2.
What are the key properties of 4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene?
4-(1-aminoethyl)-5-methylideneoxan-3-amine;ethane;ethene has a molecular weight of 274.49 g/mol, XLogP of 3.74, 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;ethane;ethene is sourced from PubChem (CID 153388188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).