5-ethoxy-2-methyl-N-propyloctan-4-amine

C14H31NO — CID 116718205

IUPAC5-ethoxy-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CC(C)C)C(CCC)OCC
InChIInChI=1S/C14H31NO/c1-6-9-14(16-8-3)13(11-12(4)5)15-10-7-2/h12-15H,6-11H2,1-5H3
InChIKeyTTXRPLBMEKQPNB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds10

About 5-ethoxy-2-methyl-N-propyloctan-4-amine

5-ethoxy-2-methyl-N-propyloctan-4-amine (PubChem CID 116718205) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name5-ethoxy-2-methyl-N-propyloctan-4-amine
PubChem CID116718205
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name5-ethoxy-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CC(C)C)C(CCC)OCC
InChIInChI=1S/C14H31NO/c1-6-9-14(16-8-3)13(11-12(4)5)15-10-7-2/h12-15H,6-11H2,1-5H3
InChIKeyTTXRPLBMEKQPNB-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine
CID 114284898
3-ethoxy-N-propyltridecan-4-amine
CID 116717144
2-ethoxy-N-propylnonan-3-amine
CID 64532611
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
N-(1-ethoxyethyl)propan-1-amine
CID 23317827
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
2-ethoxy-6-methoxy-N-propylhexan-3-amine
CID 115640781

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-N-propyloctan-4-amine?
The IUPAC name of 5-ethoxy-2-methyl-N-propyloctan-4-amine (CID 116718205) is 5-ethoxy-2-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 5-ethoxy-2-methyl-N-propyloctan-4-amine?
The canonical SMILES for 5-ethoxy-2-methyl-N-propyloctan-4-amine is CCCNC(CC(C)C)C(CCC)OCC.
What is the InChIKey of 5-ethoxy-2-methyl-N-propyloctan-4-amine?
The InChIKey is TTXRPLBMEKQPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-9-14(16-8-3)13(11-12(4)5)15-10-7-2/h12-15H,6-11H2,1-5H3.
What are the key properties of 5-ethoxy-2-methyl-N-propyloctan-4-amine?
5-ethoxy-2-methyl-N-propyloctan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 116718205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).