3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine

C14H31NO2 — CID 103036101

IUPAC3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
SMILESCCC(CC)(OC)C(CCC(C)(C)OC)NC
InChIInChI=1S/C14H31NO2/c1-8-14(9-2,17-7)12(15-5)10-11-13(3,4)16-6/h12,15H,8-11H2,1-7H3
InChIKeyNUNFIQNCVYMDIR-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.98
Rot. Bonds9

About 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine

3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine (PubChem CID 103036101) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine.

Molecular Properties

Compound Name3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
PubChem CID103036101
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
SMILESCCC(CC)(OC)C(CCC(C)(C)OC)NC
InChIInChI=1S/C14H31NO2/c1-8-14(9-2,17-7)12(15-5)10-11-13(3,4)16-6/h12,15H,8-11H2,1-7H3
InChIKeyNUNFIQNCVYMDIR-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 103035851
7-methoxy-N,7-dimethyloctan-4-amine
CID 103031355
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine
CID 116760804
2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
CID 103031280
5-ethyl-1-ethylsulfonyl-5-methoxy-N-methylheptan-4-amine
CID 116760878
(6-methoxy-2,2,6-trimethylheptan-3-yl)hydrazine
CID 103026262
2-methoxy-N,2-dimethylnonan-5-amine
CID 103031216
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
8-methoxy-N,8-dimethylnonan-4-amine
CID 103034544
2,2-diethyl-5-methoxy-N,5-dimethylhexan-1-amine
CID 103036795

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine?
The IUPAC name of 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine (CID 103036101) is 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine.
What is the SMILES notation for 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine?
The canonical SMILES for 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine is CCC(CC)(OC)C(CCC(C)(C)OC)NC.
What is the InChIKey of 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine?
The InChIKey is NUNFIQNCVYMDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-8-14(9-2,17-7)12(15-5)10-11-13(3,4)16-6/h12,15H,8-11H2,1-7H3.
What are the key properties of 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine?
3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine has a molecular weight of 245.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine is sourced from PubChem (CID 103036101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).