1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane

C12H26N2 — CID 64943217

IUPAC1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane
SMILESCC(C)(C)CN1CCCNC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-11(2,3)9-14-8-6-7-13-12(4,5)10-14/h13H,6-10H2,1-5H3
InChIKeyVVIRYUGASHCFEB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane

1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane (PubChem CID 64943217) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane
PubChem CID64943217
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane
SMILESCC(C)(C)CN1CCCNC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-11(2,3)9-14-8-6-7-13-12(4,5)10-14/h13H,6-10H2,1-5H3
InChIKeyVVIRYUGASHCFEB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane?
The IUPAC name of 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane (CID 64943217) is 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane is CC(C)(C)CN1CCCNC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane?
The InChIKey is VVIRYUGASHCFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2,3)9-14-8-6-7-13-12(4,5)10-14/h13H,6-10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane?
1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane has a molecular weight of 198.35 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane is sourced from PubChem (CID 64943217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).