3-ethoxy-2,2,5-trimethylheptan-4-amine

C12H27NO — CID 116725356

IUPAC3-ethoxy-2,2,5-trimethylheptan-4-amine
SMILESCCOC(C(N)C(C)CC)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-9(3)10(13)11(14-8-2)12(4,5)6/h9-11H,7-8,13H2,1-6H3
InChIKeyZNNFXPXBADRCOX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.81
Rot. Bonds5

About 3-ethoxy-2,2,5-trimethylheptan-4-amine

3-ethoxy-2,2,5-trimethylheptan-4-amine (PubChem CID 116725356) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-ethoxy-2,2,5-trimethylheptan-4-amine.

Molecular Properties

Compound Name3-ethoxy-2,2,5-trimethylheptan-4-amine
PubChem CID116725356
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-ethoxy-2,2,5-trimethylheptan-4-amine
SMILESCCOC(C(N)C(C)CC)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-9(3)10(13)11(14-8-2)12(4,5)6/h9-11H,7-8,13H2,1-6H3
InChIKeyZNNFXPXBADRCOX-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
CID 116725378
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
(4R)-2,4-dimethylhexan-3-amine
CID 59252919
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
2,4-dimethylhexan-3-amine;ethane
CID 143534901
4-methylhexane-2,3-diamine
CID 123983512
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
2-ethoxy-3,3-dimethyl-1-(3-methylcyclohexyl)butan-1-amine
CID 116725214
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116725346
1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725272

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2,5-trimethylheptan-4-amine?
The IUPAC name of 3-ethoxy-2,2,5-trimethylheptan-4-amine (CID 116725356) is 3-ethoxy-2,2,5-trimethylheptan-4-amine.
What is the SMILES notation for 3-ethoxy-2,2,5-trimethylheptan-4-amine?
The canonical SMILES for 3-ethoxy-2,2,5-trimethylheptan-4-amine is CCOC(C(N)C(C)CC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-2,2,5-trimethylheptan-4-amine?
The InChIKey is ZNNFXPXBADRCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-9(3)10(13)11(14-8-2)12(4,5)6/h9-11H,7-8,13H2,1-6H3.
What are the key properties of 3-ethoxy-2,2,5-trimethylheptan-4-amine?
3-ethoxy-2,2,5-trimethylheptan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2,5-trimethylheptan-4-amine is sourced from PubChem (CID 116725356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).