(4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone

C11H20N2O2 — CID 6468597

IUPAC(4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone
SMILESCN1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-5-3-6-13(8-7-12)11(14)10-4-2-9-15-10/h10H,2-9H2,1H3
InChIKeyIISDLJSOIFVGGZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.33
Rot. Bonds1

About (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone

(4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone (PubChem CID 6468597) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone
PubChem CID6468597
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone
SMILESCN1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C11H20N2O2/c1-12-5-3-6-13(8-7-12)11(14)10-4-2-9-15-10/h10H,2-9H2,1H3
InChIKeyIISDLJSOIFVGGZ-UHFFFAOYSA-N
XLogP0.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(oxolane-2-carbonyl)piperazine
CID 4285118
(4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone
CID 59965676
1,4-Diazepan-1-yl(oxolan-2-yl)methanone;hydrochloride
CID 170911517
Cambridge id 7282103
CID 3282442
N-(3-Aminopropyl)tetrahydro-N-methyl-2-furancarboxamide
CID 18358924
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propan-1-one
CID 27233577
(2S)-N,N-bis(2-methylpropyl)oxolane-2-carboxamide
CID 40532521
N-[2-(diethylamino)ethyl]oxolane-2-carboxamide
CID 47005342
N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]oxolane-2-carboxamide
CID 60302935
(2S)-N-ethyl-N-[(2S)-2-fluoropropyl]oxolane-2-carboxamide
CID 145214188
N,N-diisopropyltetrahydrofuran-2-carboxamide
CID 4695421
2,2,2-Trifluoro-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108543709

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone (CID 6468597) is (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone is CN1CCCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is IISDLJSOIFVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-5-3-6-13(8-7-12)11(14)10-4-2-9-15-10/h10H,2-9H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone?
(4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 6468597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).