6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one

C13H27NO2 — CID 106801251

IUPAC6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CCOC)C(C)CC
InChIInChI=1S/C13H27NO2/c1-5-12(3)14(10-11-16-4)9-7-8-13(15)6-2/h12H,5-11H2,1-4H3
InChIKeyGQJCCOXQCQLLOD-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.49
Rot. Bonds10

About 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one

6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one (PubChem CID 106801251) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
PubChem CID106801251
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
SMILESCCC(=O)CCCN(CCOC)C(C)CC
InChIInChI=1S/C13H27NO2/c1-5-12(3)14(10-11-16-4)9-7-8-13(15)6-2/h12H,5-11H2,1-4H3
InChIKeyGQJCCOXQCQLLOD-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one
CID 106801581
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
N'-butan-2-yl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62462963
1,2-dimethoxyethane;pentan-3-one
CID 87877054
6-butan-2-yloxyhexan-3-one
CID 106801966
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176

Frequently Asked Questions

What is the IUPAC name of 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one?
The IUPAC name of 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one (CID 106801251) is 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one.
What is the SMILES notation for 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one?
The canonical SMILES for 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one is CCC(=O)CCCN(CCOC)C(C)CC.
What is the InChIKey of 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one?
The InChIKey is GQJCCOXQCQLLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-12(3)14(10-11-16-4)9-7-8-13(15)6-2/h12H,5-11H2,1-4H3.
What are the key properties of 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one?
6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one has a molecular weight of 229.36 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one is sourced from PubChem (CID 106801251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).