3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane

C16H32N2 — CID 103968508

IUPAC3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane
SMILESCC1CN(C2CC(C)(C)CC(C)(C)C2)CCCN1
InChIInChI=1S/C16H32N2/c1-13-11-18(8-6-7-17-13)14-9-15(2,3)12-16(4,5)10-14/h13-14,17H,6-12H2,1-5H3
InChIKeyXOZHZNAWHZPHSI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds1

About 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane

3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane (PubChem CID 103968508) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane.

Molecular Properties

Compound Name3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane
PubChem CID103968508
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane
SMILESCC1CN(C2CC(C)(C)CC(C)(C)C2)CCCN1
InChIInChI=1S/C16H32N2/c1-13-11-18(8-6-7-17-13)14-9-15(2,3)12-16(4,5)10-14/h13-14,17H,6-12H2,1-5H3
InChIKeyXOZHZNAWHZPHSI-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperazine
CID 112682558
1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
1-(4,4-dimethylcyclohexyl)-3-methylpiperazine
CID 64952038
4-(3-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64943551
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-3-yl]ethanamine
CID 112682550
3,7-dimethyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968293
1-cyclopropyl-3-methylpiperazine
CID 64926788
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
1-(2,3-dimethylcyclohexyl)-3-methyl-1,4-diazepane
CID 64942536
3-methyl-1-(thian-2-yl)-1,4-diazepane
CID 115102102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane?
The IUPAC name of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane (CID 103968508) is 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane.
What is the SMILES notation for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane?
The canonical SMILES for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane is CC1CN(C2CC(C)(C)CC(C)(C)C2)CCCN1.
What is the InChIKey of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane?
The InChIKey is XOZHZNAWHZPHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-11-18(8-6-7-17-13)14-9-15(2,3)12-16(4,5)10-14/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane?
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane has a molecular weight of 252.45 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-1,4-diazepane is sourced from PubChem (CID 103968508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).