2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone

C12H25N3O — CID 82242605

IUPAC2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
SMILESCC(C)C1CN(C(=O)CN(C)C)CCCN1
InChIInChI=1S/C12H25N3O/c1-10(2)11-8-15(7-5-6-13-11)12(16)9-14(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyFSIPWLOMFZQSMA-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.39
Rot. Bonds3

About 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone

2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone (PubChem CID 82242605) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
PubChem CID82242605
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
SMILESCC(C)C1CN(C(=O)CN(C)C)CCCN1
InChIInChI=1S/C12H25N3O/c1-10(2)11-8-15(7-5-6-13-11)12(16)9-14(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyFSIPWLOMFZQSMA-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 82243511
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
tert-butyl (3R)-3-propan-2-yl-1,4-diazocane-1-carboxylate
CID 131227852
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
(3,4-difluorophenyl)-(3-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 82249346
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241664
ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone
CID 144702631
(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide
CID 129414224
3-methyl-1-[3-(2-methylpropyl)-1,4-diazepan-1-yl]butan-1-one
CID 82243739

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone (CID 82242605) is 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone is CC(C)C1CN(C(=O)CN(C)C)CCCN1.
What is the InChIKey of 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The InChIKey is FSIPWLOMFZQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)11-8-15(7-5-6-13-11)12(16)9-14(3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone?
2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone has a molecular weight of 227.35 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 82242605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).