3-ethoxy-5-methyl-N-propylheptan-4-amine

C13H29NO — CID 116717268

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

About 3-ethoxy-5-methyl-N-propylheptan-4-amine

3-ethoxy-5-methyl-N-propylheptan-4-amine (PubChem CID 116717268) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-ethoxy-5-methyl-N-propylheptan-4-amine
PubChem CID116717268
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-ethoxy-5-methyl-N-propylheptan-4-amine
SMILESCCCNC(C(C)CC)C(CC)OCC
InChIInChI=1S/C13H29NO/c1-6-10-14-13(11(5)7-2)12(8-3)15-9-4/h11-14H,6-10H2,1-5H3
InChIKeyWQKBFSZYCZVJGP-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

5-fluoro-N,2,4,6-tetramethyloxan-3-amine
CID 59938453
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
N-ethyl-3-methyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447222
N,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447254
3-methyl-N-propyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 80447317
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine
CID 102721944
N-ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-amine
CID 102721965
5-ethoxy-1,1,1-trifluoro-5-methyl-N-propylheptan-4-amine
CID 113561385
1,1,1-trifluoro-5-methoxy-N,6-dimethylheptan-4-amine
CID 116719984
N-ethyl-1,1,1-trifluoro-5-methoxy-6-methylheptan-4-amine
CID 116720275
1,1,1-trifluoro-5-methoxy-6-methyl-N-propylheptan-4-amine
CID 116720559
5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine
CID 116721134

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-N-propylheptan-4-amine?
The IUPAC name of 3-ethoxy-5-methyl-N-propylheptan-4-amine (CID 116717268) is 3-ethoxy-5-methyl-N-propylheptan-4-amine.
What is the SMILES notation for 3-ethoxy-5-methyl-N-propylheptan-4-amine?
The canonical SMILES for 3-ethoxy-5-methyl-N-propylheptan-4-amine is CCCNC(C(C)CC)C(CC)OCC.
What is the InChIKey of 3-ethoxy-5-methyl-N-propylheptan-4-amine?
The InChIKey is WQKBFSZYCZVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-10-14-13(11(5)7-2)12(8-3)15-9-4/h11-14H,6-10H2,1-5H3.
What are the key properties of 3-ethoxy-5-methyl-N-propylheptan-4-amine?
3-ethoxy-5-methyl-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-ethoxy-5-methyl-N-propylheptan-4-amine is sourced from PubChem (CID 116717268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).