3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine

C14H21N — CID 145149029

IUPAC3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine
SMILESCC(C)C1(C)C=CC2=C(C=N1)CCCC2
InChIInChI=1S/C14H21N/c1-11(2)14(3)9-8-12-6-4-5-7-13(12)10-15-14/h8-11H,4-7H2,1-3H3
InChIKeyRVBNOKHVOBJRKQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.91
Rot. Bonds1

About 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine

3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine (PubChem CID 145149029) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine
PubChem CID145149029
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine
SMILESCC(C)C1(C)C=CC2=C(C=N1)CCCC2
InChIInChI=1S/C14H21N/c1-11(2)14(3)9-8-12-6-4-5-7-13(12)10-15-14/h8-11H,4-7H2,1-3H3
InChIKeyRVBNOKHVOBJRKQ-UHFFFAOYSA-N
XLogP3.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine?
The IUPAC name of 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine (CID 145149029) is 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine.
What is the SMILES notation for 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine?
The canonical SMILES for 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine is CC(C)C1(C)C=CC2=C(C=N1)CCCC2.
What is the InChIKey of 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine?
The InChIKey is RVBNOKHVOBJRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14(3)9-8-12-6-4-5-7-13(12)10-15-14/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine?
3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine has a molecular weight of 203.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yl-6,7,8,9-tetrahydro-2-benzazepine is sourced from PubChem (CID 145149029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).