3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

C15H29N3O — CID 20589976

IUPAC3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCCCN(C)CN1C(=O)C(NC)CCC2CCCC21
InChIInChI=1S/C15H29N3O/c1-4-10-17(3)11-18-14-7-5-6-12(14)8-9-13(16-2)15(18)19/h12-14,16H,4-11H2,1-3H3
InChIKeyDGIASOCLZGEBQP-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.66
Rot. Bonds5

About 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (PubChem CID 20589976) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
PubChem CID20589976
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCCCN(C)CN1C(=O)C(NC)CCC2CCCC21
InChIInChI=1S/C15H29N3O/c1-4-10-17(3)11-18-14-7-5-6-12(14)8-9-13(16-2)15(18)19/h12-14,16H,4-11H2,1-3H3
InChIKeyDGIASOCLZGEBQP-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one with MolForge

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Related Compounds

1-[(Dimethylamino)methyl]-4-methyl-3-(methylamino)azepan-2-one
CID 20589778
3-(Methylamino)-1-propyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 20589977
5-Methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590051
6-Methyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590141
7,7-Dimethyl-3-(methylamino)-1-[[methyl(propyl)amino]methyl]azepan-2-one
CID 20590235
1-[[2-(Dimethylamino)ethyl-methylamino]methyl]-5-methyl-3-(methylamino)azepan-2-one
CID 20798946
1-(Cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22984837
1-[2-(Dimethylamino)ethyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 22985158
1-(Cycloheptylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 22985184
3-(Methylamino)-1-(2-methylbutan-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554402
1-[(1-Ethylpiperidin-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554403
1-[(1-Ethylpiperidin-4-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554404

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The IUPAC name of 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (CID 20589976) is 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The canonical SMILES for 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is CCCN(C)CN1C(=O)C(NC)CCC2CCCC21.
What is the InChIKey of 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The InChIKey is DGIASOCLZGEBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-10-17(3)11-18-14-7-5-6-12(14)8-9-13(16-2)15(18)19/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one has a molecular weight of 267.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[[methyl(propyl)amino]methyl]-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is sourced from PubChem (CID 20589976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).