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

C13H29NO — CID 105008758

IUPAC3-ethyl-1-methoxy-N-propylheptan-2-amine
SMILESCCCCC(CC)C(COC)NCCC
InChIInChI=1S/C13H29NO/c1-5-8-9-12(7-3)13(11-15-4)14-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyCEPKXDIMEVKJGO-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds10

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

3-ethyl-1-methoxy-N-propylheptan-2-amine (PubChem CID 105008758) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-N-propylheptan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-methoxy-N-propylheptan-2-amine
PubChem CID105008758
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-ethyl-1-methoxy-N-propylheptan-2-amine
SMILESCCCCC(CC)C(COC)NCCC
InChIInChI=1S/C13H29NO/c1-5-8-9-12(7-3)13(11-15-4)14-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyCEPKXDIMEVKJGO-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

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Related Compounds

1-ethoxy-3-ethyl-N-propylheptan-2-amine
CID 105007894
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
(4S)-4-ethyl-N-pentylnonan-3-amine
CID 89384517
5,6-bis(methoxymethyl)undecane
CID 142709817
N,5-diethylnonan-4-amine
CID 83051951
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
1,5-dimethoxy-2-methyl-N-propylpentan-3-amine
CID 165348363
2-(1-methoxyhexan-2-ylamino)-3-methylpentan-1-ol
CID 115891633
3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
1-cyclopropyl-2-ethyl-N-propylhexan-1-amine
CID 104994116

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-N-propylheptan-2-amine?
The IUPAC name of 3-ethyl-1-methoxy-N-propylheptan-2-amine (CID 105008758) is 3-ethyl-1-methoxy-N-propylheptan-2-amine.
What is the SMILES notation for 3-ethyl-1-methoxy-N-propylheptan-2-amine?
The canonical SMILES for 3-ethyl-1-methoxy-N-propylheptan-2-amine is CCCCC(CC)C(COC)NCCC.
What is the InChIKey of 3-ethyl-1-methoxy-N-propylheptan-2-amine?
The InChIKey is CEPKXDIMEVKJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-8-9-12(7-3)13(11-15-4)14-10-6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-1-methoxy-N-propylheptan-2-amine?
3-ethyl-1-methoxy-N-propylheptan-2-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 3-ethyl-1-methoxy-N-propylheptan-2-amine is sourced from PubChem (CID 105008758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).