6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane

C12H24N2 — CID 114550967

IUPAC6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
SMILESCC1CCC(N2CCNCC(C)C2)C1
InChIInChI=1S/C12H24N2/c1-10-3-4-12(7-10)14-6-5-13-8-11(2)9-14/h10-13H,3-9H2,1-2H3
InChIKeyIMUAWOOZYVVIAZ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds1

About 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane

6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane (PubChem CID 114550967) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane.

Molecular Properties

Compound Name6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
PubChem CID114550967
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
SMILESCC1CCC(N2CCNCC(C)C2)C1
InChIInChI=1S/C12H24N2/c1-10-3-4-12(7-10)14-6-5-13-8-11(2)9-14/h10-13H,3-9H2,1-2H3
InChIKeyIMUAWOOZYVVIAZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1-(3-methylcyclopentyl)piperazine
CID 130736458
1-(3-methylcyclopentyl)-1,4-diazepane
CID 64516428
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407
6-ethyl-3-methyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550965
1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550960
(2S)-2-methyl-1-(3-methylcyclopentyl)piperazine;hydrochloride
CID 131203778
1-(2,2-dimethyloxan-4-yl)-6-methyl-1,4-diazepane
CID 83039607
3-fluoro-1-(3-methylcyclopentyl)pyrrolidine
CID 144865924
(8aS)-2-(3-methylcyclopentyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 144914049
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
CID 114505872
3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane
CID 114101785
1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
CID 79879039

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane?
The IUPAC name of 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane (CID 114550967) is 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane.
What is the SMILES notation for 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane?
The canonical SMILES for 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane is CC1CCC(N2CCNCC(C)C2)C1.
What is the InChIKey of 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane?
The InChIKey is IMUAWOOZYVVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-3-4-12(7-10)14-6-5-13-8-11(2)9-14/h10-13H,3-9H2,1-2H3.
What are the key properties of 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane?
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane has a molecular weight of 196.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane is sourced from PubChem (CID 114550967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).