3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine

C14H31NO — CID 116725715

IUPAC3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
SMILESCCNC(CC(C)C)C(OCC)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-8-15-12(10-11(3)4)13(16-9-2)14(5,6)7/h11-13,15H,8-10H2,1-7H3
InChIKeyLNKKSPXOJYAKMB-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds7

About 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine

3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine (PubChem CID 116725715) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
PubChem CID116725715
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
SMILESCCNC(CC(C)C)C(OCC)C(C)(C)C
InChIInChI=1S/C14H31NO/c1-8-15-12(10-11(3)4)13(16-9-2)14(5,6)7/h11-13,15H,8-10H2,1-7H3
InChIKeyLNKKSPXOJYAKMB-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
5-ethoxy-N-ethyl-2,6,6-trimethylhept-1-en-4-amine
CID 116725749
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
(3R)-N-ethyl-2,5-dimethylhexan-3-amine
CID 59084835
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
CID 116725711

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine?
The IUPAC name of 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine (CID 116725715) is 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine is CCNC(CC(C)C)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine?
The InChIKey is LNKKSPXOJYAKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-15-12(10-11(3)4)13(16-9-2)14(5,6)7/h11-13,15H,8-10H2,1-7H3.
What are the key properties of 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine?
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine is sourced from PubChem (CID 116725715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).