1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine

C22H48N2O — CID 87981813

IUPAC1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine
SMILESCCCCC(CC)CC(N)CCOCCC(N)CC(CC)CCCC
InChIInChI=1S/C22H48N2O/c1-5-9-11-19(7-3)17-21(23)13-15-25-16-14-22(24)18-20(8-4)12-10-6-2/h19-22H,5-18,23-24H2,1-4H3
InChIKeyHLOOLDJHBPWGFO-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.65
Rot. Bonds18

About 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine

1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine (PubChem CID 87981813) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine.

Molecular Properties

Compound Name1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine
PubChem CID87981813
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC Name1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine
SMILESCCCCC(CC)CC(N)CCOCCC(N)CC(CC)CCCC
InChIInChI=1S/C22H48N2O/c1-5-9-11-19(7-3)17-21(23)13-15-25-16-14-22(24)18-20(8-4)12-10-6-2/h19-22H,5-18,23-24H2,1-4H3
InChIKeyHLOOLDJHBPWGFO-UHFFFAOYSA-N
XLogP5.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine?
The IUPAC name of 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine (CID 87981813) is 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine.
What is the SMILES notation for 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine?
The canonical SMILES for 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine is CCCCC(CC)CC(N)CCOCCC(N)CC(CC)CCCC.
What is the InChIKey of 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine?
The InChIKey is HLOOLDJHBPWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O/c1-5-9-11-19(7-3)17-21(23)13-15-25-16-14-22(24)18-20(8-4)12-10-6-2/h19-22H,5-18,23-24H2,1-4H3.
What are the key properties of 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine?
1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine has a molecular weight of 356.64 g/mol, XLogP of 5.65, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-ethylnonoxy)-5-ethylnonan-3-amine is sourced from PubChem (CID 87981813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).