1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane

C13H26N2 — CID 64916660

IUPAC1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
SMILESCCC1CCC(N2CCCNCC2)C1C
InChIInChI=1S/C13H26N2/c1-3-12-5-6-13(11(12)2)15-9-4-7-14-8-10-15/h11-14H,3-10H2,1-2H3
InChIKeyKUTVWTBUJWRRTB-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane

1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane (PubChem CID 64916660) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
PubChem CID64916660
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
SMILESCCC1CCC(N2CCCNCC2)C1C
InChIInChI=1S/C13H26N2/c1-3-12-5-6-13(11(12)2)15-9-4-7-14-8-10-15/h11-14H,3-10H2,1-2H3
InChIKeyKUTVWTBUJWRRTB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-2-methylcyclopentyl)-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

5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
CID 64914058
trans-(1R,2R)-2-(1,4-diazepan-1-yl)cyclohexan-1-ol
CID 93346121
1-[(1R,2S)-2-methylcyclohexyl]piperazine
CID 796159
N-[[3-(1,4-diazepan-1-yl)piperidin-4-yl]methyl]-N-methylcyclohexanamine
CID 82565022
1-piperidin-4-yl-1,4-diazepane
CID 53414008
1-(1-ethylpiperidin-2-yl)-1,4-diazepane
CID 115100694
1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
CID 82565018
N-[[1-(3-ethyl-2-methylcyclopentyl)pyrrolidin-3-yl]methyl]ethanamine
CID 64923176
1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 54977827
2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916422
2-piperazin-1-ylcyclobutan-1-ol
CID 165486406

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane (CID 64916660) is 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane is CCC1CCC(N2CCCNCC2)C1C.
What is the InChIKey of 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
The InChIKey is KUTVWTBUJWRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-12-5-6-13(11(12)2)15-9-4-7-14-8-10-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane?
1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane has a molecular weight of 210.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 64916660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).