1-ethoxy-3-ethyl-N-propylheptan-2-amine

C14H31NO — CID 105007894

IUPAC1-ethoxy-3-ethyl-N-propylheptan-2-amine
SMILESCCCCC(CC)C(COCC)NCCC
InChIInChI=1S/C14H31NO/c1-5-9-10-13(7-3)14(12-16-8-4)15-11-6-2/h13-15H,5-12H2,1-4H3
InChIKeyIJFKCDMVXFLBMH-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds11

About 1-ethoxy-3-ethyl-N-propylheptan-2-amine

1-ethoxy-3-ethyl-N-propylheptan-2-amine (PubChem CID 105007894) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-ethoxy-3-ethyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-ethyl-N-propylheptan-2-amine
PubChem CID105007894
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-ethoxy-3-ethyl-N-propylheptan-2-amine
SMILESCCCCC(CC)C(COCC)NCCC
InChIInChI=1S/C14H31NO/c1-5-9-10-13(7-3)14(12-16-8-4)15-11-6-2/h13-15H,5-12H2,1-4H3
InChIKeyIJFKCDMVXFLBMH-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
(4S)-4-ethyl-N-pentylnonan-3-amine
CID 89384517
1-ethoxy-N-propylbutan-2-amine
CID 62040391
N,5-diethylpentadecan-6-amine
CID 115831438
3-methyl-N-propylhexadecan-4-amine
CID 63717053
N,5-diethylnonan-4-amine
CID 83051951
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
N,4-dipropyldodecan-5-amine
CID 115832095
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethyl-N-propylheptan-2-amine?
The IUPAC name of 1-ethoxy-3-ethyl-N-propylheptan-2-amine (CID 105007894) is 1-ethoxy-3-ethyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-ethoxy-3-ethyl-N-propylheptan-2-amine?
The canonical SMILES for 1-ethoxy-3-ethyl-N-propylheptan-2-amine is CCCCC(CC)C(COCC)NCCC.
What is the InChIKey of 1-ethoxy-3-ethyl-N-propylheptan-2-amine?
The InChIKey is IJFKCDMVXFLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-9-10-13(7-3)14(12-16-8-4)15-11-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-ethoxy-3-ethyl-N-propylheptan-2-amine?
1-ethoxy-3-ethyl-N-propylheptan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethyl-N-propylheptan-2-amine is sourced from PubChem (CID 105007894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).