1,3-bis(2,2-dimethylpropyl)-1,3-diazepane

C15H32N2 — CID 102582052

IUPAC1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
SMILESCC(C)(C)CN1CCCCN(CC(C)(C)C)C1
InChIInChI=1S/C15H32N2/c1-14(2,3)11-16-9-7-8-10-17(13-16)12-15(4,5)6/h7-13H2,1-6H3
InChIKeyVUZRSLJRZXEZGN-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.43
Rot. Bonds2

About 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane

1,3-bis(2,2-dimethylpropyl)-1,3-diazepane (PubChem CID 102582052) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
PubChem CID102582052
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1,3-bis(2,2-dimethylpropyl)-1,3-diazepane
SMILESCC(C)(C)CN1CCCCN(CC(C)(C)C)C1
InChIInChI=1S/C15H32N2/c1-14(2,3)11-16-9-7-8-10-17(13-16)12-15(4,5)6/h7-13H2,1-6H3
InChIKeyVUZRSLJRZXEZGN-UHFFFAOYSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine
CID 135167675
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
CID 142420911
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
1-(2,2-dimethylpropyl)piperidine;1-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpropane
CID 163709399
2,2-dimethylbutane;1-(2,2-dimethylpropyl)piperidine;1-ethoxy-2,2-dimethylpropane;methane
CID 158438314
1-(3,3-dimethylbutyl)azocane
CID 166986973
1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperidine
CID 159988708
(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane?
The IUPAC name of 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane (CID 102582052) is 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane?
The canonical SMILES for 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane is CC(C)(C)CN1CCCCN(CC(C)(C)C)C1.
What is the InChIKey of 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane?
The InChIKey is VUZRSLJRZXEZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2,3)11-16-9-7-8-10-17(13-16)12-15(4,5)6/h7-13H2,1-6H3.
What are the key properties of 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane?
1,3-bis(2,2-dimethylpropyl)-1,3-diazepane has a molecular weight of 240.43 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethylpropyl)-1,3-diazepane is sourced from PubChem (CID 102582052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).