(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane

C10H22N2O — CID 162375653

IUPAC(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane
SMILESCOCCN1CCCN(C)[C@@H](C)C1
InChIInChI=1S/C10H22N2O/c1-10-9-12(7-8-13-3)6-4-5-11(10)2/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyFVAFKKWDMZMOAM-JTQLQIEISA-N
MW186.30 g/mol
LogP0.66
Rot. Bonds3

About (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane

(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane (PubChem CID 162375653) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane
PubChem CID162375653
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane
SMILESCOCCN1CCCN(C)[C@@H](C)C1
InChIInChI=1S/C10H22N2O/c1-10-9-12(7-8-13-3)6-4-5-11(10)2/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyFVAFKKWDMZMOAM-JTQLQIEISA-N
XLogP0.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethyl-1,4-diazepan-1-yl)ethanamine
CID 115102298
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
1-(2-methoxyethyl)azocane
CID 47014834
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanol
CID 174389909
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane?
The IUPAC name of (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane (CID 162375653) is (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane.
What is the SMILES notation for (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane?
The canonical SMILES for (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane is COCCN1CCCN(C)[C@@H](C)C1.
What is the InChIKey of (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane?
The InChIKey is FVAFKKWDMZMOAM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O/c1-10-9-12(7-8-13-3)6-4-5-11(10)2/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane?
(2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane has a molecular weight of 186.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methoxyethyl)-1,2-dimethyl-1,4-diazepane is sourced from PubChem (CID 162375653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).