1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane

C14H28N2 — CID 79879039

IUPAC1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(C2CCCCC2(C)C)C1
InChIInChI=1S/C14H28N2/c1-12-10-15-8-9-16(11-12)13-6-4-5-7-14(13,2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyKVIJEYJVBWUXBL-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds1

About 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane

1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane (PubChem CID 79879039) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
PubChem CID79879039
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
SMILESCC1CNCCN(C2CCCCC2(C)C)C1
InChIInChI=1S/C14H28N2/c1-12-10-15-8-9-16(11-12)13-6-4-5-7-14(13,2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyKVIJEYJVBWUXBL-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 130678144
6-methyl-1-(1-methylcyclopentyl)-1,4-diazepane
CID 64686823
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
CID 155003765
2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929028
1-(2,2-dimethylcyclohexyl)piperidin-3-amine
CID 79847602
1-(2,2-dimethylcyclobutyl)-3-methylpiperazine
CID 130554773
1-(2,2-dimethylcyclopentyl)-3-ethylpiperazine
CID 79878400
(4aS,7aS)-6-(2,2-dimethylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678939
6-methyl-1-(3-methylcyclopentyl)-1,4-diazepane
CID 114550967
1-(2,2-dimethylcyclohexyl)-1,4-diazaspiro[5.5]undecane
CID 79846903
1-(2,2-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 79853568
3-(6-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 63922407

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane (CID 79879039) is 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane is CC1CNCCN(C2CCCCC2(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane?
The InChIKey is KVIJEYJVBWUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-10-15-8-9-16(11-12)13-6-4-5-7-14(13,2)3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane?
1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane has a molecular weight of 224.39 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane is sourced from PubChem (CID 79879039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).