1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine

C11H22N2 — CID 82407463

IUPAC1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine
SMILESCC1NCCN(C)C2CCCCC12
InChIInChI=1S/C11H22N2/c1-9-10-5-3-4-6-11(10)13(2)8-7-12-9/h9-12H,3-8H2,1-2H3
InChIKeyBUMAJROJJOVUNN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds

About 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine

1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine (PubChem CID 82407463) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine.

Molecular Properties

Compound Name1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine
PubChem CID82407463
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine
SMILESCC1NCCN(C)C2CCCCC12
InChIInChI=1S/C11H22N2/c1-9-10-5-3-4-6-11(10)13(2)8-7-12-9/h9-12H,3-8H2,1-2H3
InChIKeyBUMAJROJJOVUNN-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine?
The IUPAC name of 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine (CID 82407463) is 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine.
What is the SMILES notation for 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine?
The canonical SMILES for 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine is CC1NCCN(C)C2CCCCC12.
What is the InChIKey of 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine?
The InChIKey is BUMAJROJJOVUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-10-5-3-4-6-11(10)13(2)8-7-12-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine?
1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepine is sourced from PubChem (CID 82407463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).