1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane

C14H28N2 — CID 64942536

IUPAC1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane
SMILESCC1CN(C2CCCC(C)C2C)CCCN1
InChIInChI=1S/C14H28N2/c1-11-6-4-7-14(13(11)3)16-9-5-8-15-12(2)10-16/h11-15H,4-10H2,1-3H3
InChIKeyNKONAXLYGNCYCF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds1

About 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane

1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane (PubChem CID 64942536) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane
PubChem CID64942536
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane
SMILESCC1CN(C2CCCC(C)C2C)CCCN1
InChIInChI=1S/C14H28N2/c1-11-6-4-7-14(13(11)3)16-9-5-8-15-12(2)10-16/h11-15H,4-10H2,1-3H3
InChIKeyNKONAXLYGNCYCF-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
CID 64755585
1-(2,6-dimethylcyclohexyl)-3-methylpiperazine
CID 65416353
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine
CID 64924428
1-(2,3-dimethylcyclohexyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975630
4-(3-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64943551
1-(2-methoxycyclohexyl)-3-methylpiperazine
CID 106873271
3-methyl-1-(thian-2-yl)-1,4-diazepane
CID 115102102
1-(2,3-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65071889
1-(2,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64953434
1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
CID 64924229
1-(2,3-dimethylcyclohexyl)imidazolidin-2-one
CID 115370395
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane (CID 64942536) is 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane is CC1CN(C2CCCC(C)C2C)CCCN1.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane?
The InChIKey is NKONAXLYGNCYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-6-4-7-14(13(11)3)16-9-5-8-15-12(2)10-16/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane?
1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane has a molecular weight of 224.39 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 64942536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).