2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine

C14H21N — CID 608987

IUPAC2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine
SMILESCc1ccc2c(c1)CN(C)CCCCC2
InChIInChI=1S/C14H21N/c1-12-7-8-13-6-4-3-5-9-15(2)11-14(13)10-12/h7-8,10H,3-6,9,11H2,1-2H3
InChIKeyLKINQSKFSGIJDX-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.15
Rot. Bonds

About 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine

2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine (PubChem CID 608987) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine.

Molecular Properties

Compound Name2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine
PubChem CID608987
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine
SMILESCc1ccc2c(c1)CN(C)CCCCC2
InChIInChI=1S/C14H21N/c1-12-7-8-13-6-4-3-5-9-15(2)11-14(13)10-12/h7-8,10H,3-6,9,11H2,1-2H3
InChIKeyLKINQSKFSGIJDX-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine?
The IUPAC name of 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine (CID 608987) is 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine.
What is the SMILES notation for 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine?
The canonical SMILES for 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine is Cc1ccc2c(c1)CN(C)CCCCC2.
What is the InChIKey of 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine?
The InChIKey is LKINQSKFSGIJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12-7-8-13-6-4-3-5-9-15(2)11-14(13)10-12/h7-8,10H,3-6,9,11H2,1-2H3.
What are the key properties of 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine?
2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine has a molecular weight of 203.33 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethyl-1,3,4,5,6,7-hexahydro-2-benzazonine is sourced from PubChem (CID 608987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).