2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one

C13H26N2O — CID 63626151

IUPAC2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)N1CCCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14-13(3,4)12(16)15-9-6-7-11(2)8-10-15/h11,14H,5-10H2,1-4H3
InChIKeyJMQQTSOGFSLQQA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds3

About 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one

2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one (PubChem CID 63626151) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
PubChem CID63626151
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)N1CCCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14-13(3,4)12(16)15-9-6-7-11(2)8-10-15/h11,14H,5-10H2,1-4H3
InChIKeyJMQQTSOGFSLQQA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 62833921
2-methyl-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 62835421
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62836073
2-(ethylamino)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 62941929
1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 62931262
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63167293
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
2-(ethylamino)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
CID 107404378
N-[1-[2-(ethylamino)-2-methylpropanoyl]piperidin-4-yl]-2-methoxyacetamide
CID 62836448
1-(3-azaspiro[5.5]undecan-3-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 55156122
N-butyl-1-[2-(ethylamino)-2-methylpropanoyl]piperidine-4-carboxamide
CID 62835323

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one?
The IUPAC name of 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one (CID 63626151) is 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one?
The canonical SMILES for 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one is CCNC(C)(C)C(=O)N1CCCC(C)CC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one?
The InChIKey is JMQQTSOGFSLQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-14-13(3,4)12(16)15-9-6-7-11(2)8-10-15/h11,14H,5-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one?
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one is sourced from PubChem (CID 63626151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).