3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one

C14H28N2O — CID 104689693

IUPAC3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCCCCC1CC
InChIInChI=1S/C14H28N2O/c1-4-13-9-7-6-8-10-16(13)14(17)12(3)11-15-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyHGFPEFQKSMLSKU-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds5

About 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one

3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one (PubChem CID 104689693) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
PubChem CID104689693
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)N1CCCCCC1CC
InChIInChI=1S/C14H28N2O/c1-4-13-9-7-6-8-10-16(13)14(17)12(3)11-15-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyHGFPEFQKSMLSKU-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
1-(2-ethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119793413
3-(ethylamino)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62839819
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
1-[3-(ethylamino)-2-methylpropanoyl]azepane-2-carboxylic acid
CID 64564263
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one (CID 104689693) is 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one is CCNCC(C)C(=O)N1CCCCCC1CC.
What is the InChIKey of 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one?
The InChIKey is HGFPEFQKSMLSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-13-9-7-6-8-10-16(13)14(17)12(3)11-15-5-2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one?
3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2-ethylazepan-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 104689693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).