1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine

C19H41NO2 — CID 121368573

IUPAC1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine
SMILESCCOCCC(C)(CC)N(CC)C(C)(CC)CCOC(C)C
InChIInChI=1S/C19H41NO2/c1-9-18(7,13-15-21-12-4)20(11-3)19(8,10-2)14-16-22-17(5)6/h17H,9-16H2,1-8H3
InChIKeyJJZZGJWCYNZQAQ-UHFFFAOYSA-N
MW315.54 g/mol
LogP4.89
Rot. Bonds13

About 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine

1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine (PubChem CID 121368573) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine
PubChem CID121368573
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Name1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine
SMILESCCOCCC(C)(CC)N(CC)C(C)(CC)CCOC(C)C
InChIInChI=1S/C19H41NO2/c1-9-18(7,13-15-21-12-4)20(11-3)19(8,10-2)14-16-22-17(5)6/h17H,9-16H2,1-8H3
InChIKeyJJZZGJWCYNZQAQ-UHFFFAOYSA-N
XLogP4.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
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-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine?
The IUPAC name of 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine (CID 121368573) is 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine is CCOCCC(C)(CC)N(CC)C(C)(CC)CCOC(C)C.
What is the InChIKey of 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine?
The InChIKey is JJZZGJWCYNZQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO2/c1-9-18(7,13-15-21-12-4)20(11-3)19(8,10-2)14-16-22-17(5)6/h17H,9-16H2,1-8H3.
What are the key properties of 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine?
1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine has a molecular weight of 315.54 g/mol, XLogP of 4.89, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-3-methyl-N-(3-methyl-1-propan-2-yloxypentan-3-yl)pentan-3-amine is sourced from PubChem (CID 121368573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).