7-ethoxy-1-methoxy-3-methylheptan-4-amine

C11H25NO2 — CID 105185117

IUPAC7-ethoxy-1-methoxy-3-methylheptan-4-amine
SMILESCCOCCCC(N)C(C)CCOC
InChIInChI=1S/C11H25NO2/c1-4-14-8-5-6-11(12)10(2)7-9-13-3/h10-11H,4-9,12H2,1-3H3
InChIKeyOINRWJJHKWJKJG-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.80
Rot. Bonds9

About 7-ethoxy-1-methoxy-3-methylheptan-4-amine

7-ethoxy-1-methoxy-3-methylheptan-4-amine (PubChem CID 105185117) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 7-ethoxy-1-methoxy-3-methylheptan-4-amine.

Molecular Properties

Compound Name7-ethoxy-1-methoxy-3-methylheptan-4-amine
PubChem CID105185117
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name7-ethoxy-1-methoxy-3-methylheptan-4-amine
SMILESCCOCCCC(N)C(C)CCOC
InChIInChI=1S/C11H25NO2/c1-4-14-8-5-6-11(12)10(2)7-9-13-3/h10-11H,4-9,12H2,1-3H3
InChIKeyOINRWJJHKWJKJG-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-5-methoxypentan-3-amine
CID 114997131
1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592
1-ethoxynonan-4-amine
CID 105129941
(2S)-5-methoxypentan-2-amine
CID 93315322
1-methoxy-3-methylhexan-2-amine
CID 105008836
6-(2-methoxyethoxy)-3-methylhexan-2-amine
CID 103410671
8-methoxy-4-methyloctan-3-amine
CID 104648383
6-ethoxy-3-ethylhexan-2-amine
CID 65181090
5-ethoxy-2-methoxycarbonylpentanoic acid
CID 103973323
1-ethoxy-3-methylhexan-2-amine
CID 105007979
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475122
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-methoxy-3-methylheptan-4-amine?
The IUPAC name of 7-ethoxy-1-methoxy-3-methylheptan-4-amine (CID 105185117) is 7-ethoxy-1-methoxy-3-methylheptan-4-amine.
What is the SMILES notation for 7-ethoxy-1-methoxy-3-methylheptan-4-amine?
The canonical SMILES for 7-ethoxy-1-methoxy-3-methylheptan-4-amine is CCOCCCC(N)C(C)CCOC.
What is the InChIKey of 7-ethoxy-1-methoxy-3-methylheptan-4-amine?
The InChIKey is OINRWJJHKWJKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-14-8-5-6-11(12)10(2)7-9-13-3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 7-ethoxy-1-methoxy-3-methylheptan-4-amine?
7-ethoxy-1-methoxy-3-methylheptan-4-amine has a molecular weight of 203.33 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-methoxy-3-methylheptan-4-amine is sourced from PubChem (CID 105185117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).