1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one

C14H26N2O — CID 22984837

IUPAC1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(CC2CCCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-11-6-5-9-13(15-2)14(17)16(11)10-12-7-3-4-8-12/h11-13,15H,3-10H2,1-2H3
InChIKeyQVVOENOZWOBGEQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds3

About 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one

1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984837) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one
PubChem CID22984837
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(CC2CCCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-11-6-5-9-13(15-2)14(17)16(11)10-12-7-3-4-8-12/h11-13,15H,3-10H2,1-2H3
InChIKeyQVVOENOZWOBGEQ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one (CID 22984837) is 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)N(CC2CCCC2)C1=O.
What is the InChIKey of 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one?
The InChIKey is QVVOENOZWOBGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-5-9-13(15-2)14(17)16(11)10-12-7-3-4-8-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one?
1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).