1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile

C15H20N2 — CID 10014022

IUPAC1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile
SMILESCC1CC(C)C(C)(C#N)N(C)c2ccccc21
InChIInChI=1S/C15H20N2/c1-11-9-12(2)15(3,10-16)17(4)14-8-6-5-7-13(11)14/h5-8,11-12H,9H2,1-4H3
InChIKeyPFFSWZPNGZEIFI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.55
Rot. Bonds

About 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile

1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile (PubChem CID 10014022) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile
PubChem CID10014022
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile
SMILESCC1CC(C)C(C)(C#N)N(C)c2ccccc21
InChIInChI=1S/C15H20N2/c1-11-9-12(2)15(3,10-16)17(4)14-8-6-5-7-13(11)14/h5-8,11-12H,9H2,1-4H3
InChIKeyPFFSWZPNGZEIFI-UHFFFAOYSA-N
XLogP3.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile?
The IUPAC name of 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile (CID 10014022) is 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile.
What is the SMILES notation for 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile?
The canonical SMILES for 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile is CC1CC(C)C(C)(C#N)N(C)c2ccccc21.
What is the InChIKey of 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile?
The InChIKey is PFFSWZPNGZEIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-9-12(2)15(3,10-16)17(4)14-8-6-5-7-13(11)14/h5-8,11-12H,9H2,1-4H3.
What are the key properties of 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile?
1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4,5-dihydro-3H-1-benzazepine-2-carbonitrile is sourced from PubChem (CID 10014022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).