3-ethyl-5-methoxy-N-propylheptan-4-amine

C13H29NO — CID 116716139

IUPAC3-ethyl-5-methoxy-N-propylheptan-4-amine
SMILESCCCNC(C(CC)CC)C(CC)OC
InChIInChI=1S/C13H29NO/c1-6-10-14-13(11(7-2)8-3)12(9-4)15-5/h11-14H,6-10H2,1-5H3
InChIKeyBJIKTOSHJHHSHU-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.22
Rot. Bonds9

About 3-ethyl-5-methoxy-N-propylheptan-4-amine

3-ethyl-5-methoxy-N-propylheptan-4-amine (PubChem CID 116716139) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-ethyl-5-methoxy-N-propylheptan-4-amine
PubChem CID116716139
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-ethyl-5-methoxy-N-propylheptan-4-amine
SMILESCCCNC(C(CC)CC)C(CC)OC
InChIInChI=1S/C13H29NO/c1-6-10-14-13(11(7-2)8-3)12(9-4)15-5/h11-14H,6-10H2,1-5H3
InChIKeyBJIKTOSHJHHSHU-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

N,3-diethyl-5-methoxyheptan-4-amine
CID 116715851
3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116715914
5-methoxy-N-propylhept-1-en-4-amine
CID 116715902
3-ethoxy-5-methyl-N-propylheptan-4-amine
CID 116717268
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
1-(3,5-dimethylcyclohexyl)-2-methoxy-N-propylbutan-1-amine
CID 116715897
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
N-ethyl-3-methoxy-5-methylheptan-4-amine
CID 116715826
3-methoxy-7-methyl-N-propyloct-7-en-4-amine
CID 114475941
3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758
1-ethoxy-3-ethyl-N-propylheptan-2-amine
CID 105007894
3-ethoxy-5,7-dimethyl-N-propyloctan-4-amine
CID 114284898

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-N-propylheptan-4-amine?
The IUPAC name of 3-ethyl-5-methoxy-N-propylheptan-4-amine (CID 116716139) is 3-ethyl-5-methoxy-N-propylheptan-4-amine.
What is the SMILES notation for 3-ethyl-5-methoxy-N-propylheptan-4-amine?
The canonical SMILES for 3-ethyl-5-methoxy-N-propylheptan-4-amine is CCCNC(C(CC)CC)C(CC)OC.
What is the InChIKey of 3-ethyl-5-methoxy-N-propylheptan-4-amine?
The InChIKey is BJIKTOSHJHHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-10-14-13(11(7-2)8-3)12(9-4)15-5/h11-14H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-5-methoxy-N-propylheptan-4-amine?
3-ethyl-5-methoxy-N-propylheptan-4-amine has a molecular weight of 215.38 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-N-propylheptan-4-amine is sourced from PubChem (CID 116716139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).