1,2-bis(2-methylpropyl)-1,4-diazepane

C13H28N2 — CID 82241701

IUPAC1,2-bis(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CNCCCN1CC(C)C
InChIInChI=1S/C13H28N2/c1-11(2)8-13-9-14-6-5-7-15(13)10-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyIZEUIOPVOKZIFK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds4

About 1,2-bis(2-methylpropyl)-1,4-diazepane

1,2-bis(2-methylpropyl)-1,4-diazepane (PubChem CID 82241701) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)-1,4-diazepane
PubChem CID82241701
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1,2-bis(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CNCCCN1CC(C)C
InChIInChI=1S/C13H28N2/c1-11(2)8-13-9-14-6-5-7-15(13)10-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyIZEUIOPVOKZIFK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64846849
1-(2-methylpentyl)-2-(2-methylpropyl)piperazine
CID 64844865
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
(2R)-2-(methoxymethyl)-1-(2-methylpropyl)piperazine
CID 165128203
2-methyl-1-[2-(2-methylpropyl)piperazin-1-yl]propan-2-amine
CID 112546747
4-[2-[2-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 82245440
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64844470
3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1,2-bis(2-methylpropyl)-1,4-diazepane (CID 82241701) is 1,2-bis(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1,2-bis(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1,2-bis(2-methylpropyl)-1,4-diazepane is CC(C)CC1CNCCCN1CC(C)C.
What is the InChIKey of 1,2-bis(2-methylpropyl)-1,4-diazepane?
The InChIKey is IZEUIOPVOKZIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)8-13-9-14-6-5-7-15(13)10-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,2-bis(2-methylpropyl)-1,4-diazepane?
1,2-bis(2-methylpropyl)-1,4-diazepane has a molecular weight of 212.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 82241701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).