4-amino-1,3-dimethylazepan-2-one;ethane

C10H22N2O — CID 145367314

IUPAC4-amino-1,3-dimethylazepan-2-one;ethane
SMILESCC.CC1C(=O)N(C)CCCC1N
InChIInChI=1S/C8H16N2O.C2H6/c1-6-7(9)4-3-5-10(2)8(6)11;1-2/h6-7H,3-5,9H2,1-2H3;1-2H3
InChIKeyLCXHLUDLROFMHX-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.23
Rot. Bonds

About 4-amino-1,3-dimethylazepan-2-one;ethane

4-amino-1,3-dimethylazepan-2-one;ethane (PubChem CID 145367314) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-amino-1,3-dimethylazepan-2-one;ethane.

Molecular Properties

Compound Name4-amino-1,3-dimethylazepan-2-one;ethane
PubChem CID145367314
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-amino-1,3-dimethylazepan-2-one;ethane
SMILESCC.CC1C(=O)N(C)CCCC1N
InChIInChI=1S/C8H16N2O.C2H6/c1-6-7(9)4-3-5-10(2)8(6)11;1-2/h6-7H,3-5,9H2,1-2H3;1-2H3
InChIKeyLCXHLUDLROFMHX-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethylazepan-2-one;ethane?
The IUPAC name of 4-amino-1,3-dimethylazepan-2-one;ethane (CID 145367314) is 4-amino-1,3-dimethylazepan-2-one;ethane.
What is the SMILES notation for 4-amino-1,3-dimethylazepan-2-one;ethane?
The canonical SMILES for 4-amino-1,3-dimethylazepan-2-one;ethane is CC.CC1C(=O)N(C)CCCC1N.
What is the InChIKey of 4-amino-1,3-dimethylazepan-2-one;ethane?
The InChIKey is LCXHLUDLROFMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2H6/c1-6-7(9)4-3-5-10(2)8(6)11;1-2/h6-7H,3-5,9H2,1-2H3;1-2H3.
What are the key properties of 4-amino-1,3-dimethylazepan-2-one;ethane?
4-amino-1,3-dimethylazepan-2-one;ethane has a molecular weight of 186.30 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethylazepan-2-one;ethane is sourced from PubChem (CID 145367314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).