4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine

C13H29NO — CID 90959380

IUPAC4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine
SMILESCCC(CC(C)C)CC(CNC)COC
InChIInChI=1S/C13H29NO/c1-6-12(7-11(2)3)8-13(9-14-4)10-15-5/h11-14H,6-10H2,1-5H3
InChIKeyWPLWPBCGNZHFIS-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.93
Rot. Bonds9

About 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine

4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine (PubChem CID 90959380) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine
PubChem CID90959380
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine
SMILESCCC(CC(C)C)CC(CNC)COC
InChIInChI=1S/C13H29NO/c1-6-12(7-11(2)3)8-13(9-14-4)10-15-5/h11-14H,6-10H2,1-5H3
InChIKeyWPLWPBCGNZHFIS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methoxyethyl)azepane
CID 75456971
3-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 57887541
3-(2,4,6-Trimethylheptoxy)propan-1-amine
CID 116672
2-cyclopentyl-3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84722395
2-cyclohexyl-3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84724793
2-cyclopentyl-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706207
Methyl-[3-(8-methylnonoxy)propyl]azanium chloride
CID 21256428
3-Ethyl-11-(methylamino)undecan-1-ol
CID 23594100
3-(5-Hexoxypentyl)pyrrolidine
CID 53671543
N-(3-ethoxypropyl)-2-ethylhexan-1-amine
CID 53811674
N-methyl-1-(2-methyl-6-propan-2-yloxan-3-yl)methanamine
CID 59435713
N-ethyl-3-(2-ethylhexoxy)propan-1-amine
CID 62455296

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine?
The IUPAC name of 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine (CID 90959380) is 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine.
What is the SMILES notation for 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine?
The canonical SMILES for 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine is CCC(CC(C)C)CC(CNC)COC.
What is the InChIKey of 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine?
The InChIKey is WPLWPBCGNZHFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-12(7-11(2)3)8-13(9-14-4)10-15-5/h11-14H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine?
4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(methoxymethyl)-N,6-dimethylheptan-1-amine is sourced from PubChem (CID 90959380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).