6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane

C12H24N2 — CID 64686823

IUPAC6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane
SMILESCC1CNCCN(C2(C)CCCC2)C1
InChIInChI=1S/C12H24N2/c1-11-9-13-7-8-14(10-11)12(2)5-3-4-6-12/h11,13H,3-10H2,1-2H3
InChIKeyGBTGZMQTVJXLNW-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds1

About 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane

6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane (PubChem CID 64686823) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane
PubChem CID64686823
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane
SMILESCC1CNCCN(C2(C)CCCC2)C1
InChIInChI=1S/C12H24N2/c1-11-9-13-7-8-14(10-11)12(2)5-3-4-6-12/h11,13H,3-10H2,1-2H3
InChIKeyGBTGZMQTVJXLNW-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686822
1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
CID 79879039
(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170704092
1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine
CID 64953652
9-(1-methylcyclohexyl)-6,9-diazaspiro[4.5]decane
CID 64954342
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
1-(1-methylcyclohexyl)-3-propan-2-yl-1,4-diazepane
CID 64950737
6-methyl-1,4-diazepane-1-carboxylic acid
CID 90022052
3-cyclohexyl-1-(1-methylcyclopentyl)-1,4-diazepane
CID 64950047
1-(2,3-dimethylbutyl)-6-methyl-1,4-diazepane
CID 64599289
1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane
CID 83039607
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane (CID 64686823) is 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane is CC1CNCCN(C2(C)CCCC2)C1.
What is the InChIKey of 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane?
The InChIKey is GBTGZMQTVJXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-9-13-7-8-14(10-11)12(2)5-3-4-6-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane?
6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 64686823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).