1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane

C11H23N3 — CID 83618604

IUPAC1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane
SMILESCCN1CCCN(C2CCNC2)CC1
InChIInChI=1S/C11H23N3/c1-2-13-6-3-7-14(9-8-13)11-4-5-12-10-11/h11-12H,2-10H2,1H3
InChIKeyCXBSIQCLFMRERZ-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.38
Rot. Bonds2

About 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane

1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane (PubChem CID 83618604) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane.

Molecular Properties

Compound Name1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane
PubChem CID83618604
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane
SMILESCCN1CCCN(C2CCNC2)CC1
InChIInChI=1S/C11H23N3/c1-2-13-6-3-7-14(9-8-13)11-4-5-12-10-11/h11-12H,2-10H2,1H3
InChIKeyCXBSIQCLFMRERZ-UHFFFAOYSA-N
XLogP0.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-pyrrolidin-3-yl-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

3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
1-methyl-4-pyrrolidin-3-yl-1,4-diazepane
CID 23282605
1-(iodomethyl)-4-pyrrolidin-3-ylpiperazine
CID 137353181
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851
4-ethyl-1-pyrrolidin-3-ylpiperidine
CID 62328798
3-(4-ethyl-1,4-diazepan-1-yl)cyclohexan-1-amine
CID 90132085
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
3-(4-ethyl-1,4-diazepan-1-yl)cyclopentan-1-one
CID 131115351
1-pyrrolidin-3-ylazepan-4-ol
CID 115016770
9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641603
4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 91832296
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane?
The IUPAC name of 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane (CID 83618604) is 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane.
What is the SMILES notation for 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane?
The canonical SMILES for 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane is CCN1CCCN(C2CCNC2)CC1.
What is the InChIKey of 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane?
The InChIKey is CXBSIQCLFMRERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-2-13-6-3-7-14(9-8-13)11-4-5-12-10-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane?
1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane has a molecular weight of 197.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyrrolidin-3-yl-1,4-diazepane is sourced from PubChem (CID 83618604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).