3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine

C19H41NO — CID 89204413

IUPAC3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)CCOC(CC)(CC)CCNC(CC)CC
InChIInChI=1S/C19H41NO/c1-7-17(8-2)13-16-21-19(11-5,12-6)14-15-20-18(9-3)10-4/h17-18,20H,7-16H2,1-6H3
InChIKeyGJSKNIGBGNUBDB-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.56
Rot. Bonds14

About 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine

3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine (PubChem CID 89204413) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine
PubChem CID89204413
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine
SMILESCCC(CC)CCOC(CC)(CC)CCNC(CC)CC
InChIInChI=1S/C19H41NO/c1-7-17(8-2)13-16-21-19(11-5,12-6)14-15-20-18(9-3)10-4/h17-18,20H,7-16H2,1-6H3
InChIKeyGJSKNIGBGNUBDB-UHFFFAOYSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine?
The IUPAC name of 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine (CID 89204413) is 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine.
What is the SMILES notation for 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine?
The canonical SMILES for 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine is CCC(CC)CCOC(CC)(CC)CCNC(CC)CC.
What is the InChIKey of 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine?
The InChIKey is GJSKNIGBGNUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-7-17(8-2)13-16-21-19(11-5,12-6)14-15-20-18(9-3)10-4/h17-18,20H,7-16H2,1-6H3.
What are the key properties of 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine?
3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 5.56, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(3-ethylpentoxy)-N-pentan-3-ylpentan-1-amine is sourced from PubChem (CID 89204413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).