1-ethoxy-N,5-diethylheptan-4-amine

C13H29NO — CID 105168474

IUPAC1-ethoxy-N,5-diethylheptan-4-amine
SMILESCCNC(CCCOCC)C(CC)CC
InChIInChI=1S/C13H29NO/c1-5-12(6-2)13(14-7-3)10-9-11-15-8-4/h12-14H,5-11H2,1-4H3
InChIKeyRZZKKDARTZGQDF-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

About 1-ethoxy-N,5-diethylheptan-4-amine

1-ethoxy-N,5-diethylheptan-4-amine (PubChem CID 105168474) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-ethoxy-N,5-diethylheptan-4-amine.

Molecular Properties

Compound Name1-ethoxy-N,5-diethylheptan-4-amine
PubChem CID105168474
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name1-ethoxy-N,5-diethylheptan-4-amine
SMILESCCNC(CCCOCC)C(CC)CC
InChIInChI=1S/C13H29NO/c1-5-12(6-2)13(14-7-3)10-9-11-15-8-4/h12-14H,5-11H2,1-4H3
InChIKeyRZZKKDARTZGQDF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-ethoxy-5-ethylheptan-4-yl)hydrazine
CID 105324048
6-ethoxy-3-ethylhexan-2-amine
CID 65181090
5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530
N,5-diethylpentadecan-6-amine
CID 115831438
N,5-diethylnonan-4-amine
CID 83051951
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
7-ethoxy-N-ethyl-2-methylhept-2-en-4-amine
CID 105163264
5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
N,3-diethylnon-7-yn-4-amine
CID 105037214
(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine
CID 81015252

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N,5-diethylheptan-4-amine?
The IUPAC name of 1-ethoxy-N,5-diethylheptan-4-amine (CID 105168474) is 1-ethoxy-N,5-diethylheptan-4-amine.
What is the SMILES notation for 1-ethoxy-N,5-diethylheptan-4-amine?
The canonical SMILES for 1-ethoxy-N,5-diethylheptan-4-amine is CCNC(CCCOCC)C(CC)CC.
What is the InChIKey of 1-ethoxy-N,5-diethylheptan-4-amine?
The InChIKey is RZZKKDARTZGQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-12(6-2)13(14-7-3)10-9-11-15-8-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-ethoxy-N,5-diethylheptan-4-amine?
1-ethoxy-N,5-diethylheptan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,5-diethylheptan-4-amine is sourced from PubChem (CID 105168474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).