3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine

C15H33NO — CID 114284898

IUPAC3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(C(C)CC(C)C)C(CC)OCC
InChIInChI=1S/C15H33NO/c1-7-10-16-15(13(6)11-12(4)5)14(8-2)17-9-3/h12-16H,7-11H2,1-6H3
InChIKeyQIHFMCUYEGYJGN-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.85
Rot. Bonds10

About 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine

3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine (PubChem CID 114284898) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine
PubChem CID114284898
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(C(C)CC(C)C)C(CC)OCC
InChIInChI=1S/C15H33NO/c1-7-10-16-15(13(6)11-12(4)5)14(8-2)17-9-3/h12-16H,7-11H2,1-6H3
InChIKeyQIHFMCUYEGYJGN-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-5-methyl-N-propylheptan-4-amine
CID 116717268
5-ethoxy-2-methyl-N-propyloctan-4-amine
CID 116718205
(3-ethoxy-5-methylheptan-4-yl)hydrazine
CID 105271139
4-ethoxy-N-ethyl-2-methylhexan-3-amine
CID 116716931
2-ethoxy-4-methyl-N-propylpentan-3-amine
CID 64535427
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
N-(1-ethoxyethyl)propan-1-amine
CID 23317827
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
3-ethyl-5-methoxy-N-propylheptan-4-amine
CID 116716139
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
3,5-dimethyl-1-N,2-N-dipropylhexane-1,2-diamine
CID 170384964
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine?
The IUPAC name of 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine (CID 114284898) is 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine?
The canonical SMILES for 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine is CCCNC(C(C)CC(C)C)C(CC)OCC.
What is the InChIKey of 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine?
The InChIKey is QIHFMCUYEGYJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-10-16-15(13(6)11-12(4)5)14(8-2)17-9-3/h12-16H,7-11H2,1-6H3.
What are the key properties of 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine?
3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine has a molecular weight of 243.43 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 114284898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).