8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine

C14H21N — CID 142053671

IUPAC8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine
SMILESCCCC1C=NC2=C(C=CC(C)C2)CC1
InChIInChI=1S/C14H21N/c1-3-4-12-6-8-13-7-5-11(2)9-14(13)15-10-12/h5,7,10-12H,3-4,6,8-9H2,1-2H3
InChIKeyXQIABJNYTYIGFI-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.12
Rot. Bonds2

About 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine

8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine (PubChem CID 142053671) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine.

Molecular Properties

Compound Name8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine
PubChem CID142053671
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine
SMILESCCCC1C=NC2=C(C=CC(C)C2)CC1
InChIInChI=1S/C14H21N/c1-3-4-12-6-8-13-7-5-11(2)9-14(13)15-10-12/h5,7,10-12H,3-4,6,8-9H2,1-2H3
InChIKeyXQIABJNYTYIGFI-UHFFFAOYSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methyl-7-[4-(trifluoromethyl)cyclohexylidene]-3,4-dihydroazepine
CID 123320115
(8R)-N-(2-bicyclo[4.1.0]hepta-1(7),2,4-trienyl)-8-fluoro-5-methyldecan-1-imine
CID 146660440
N-[(E,4R)-2-fluoro-4-[(1S)-2-(2-fluoropropyl)cyclohepta-2,4-dien-1-yl]pent-2-en-3-yl]ethanimine
CID 168197131
5,5a-dihydro-4H-2-benzazepine
CID 18435514
2,5,9,9a-tetrahydro-1H-3-benzazepine
CID 54493788
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
1,8,8-Trimethyl-4,9-dihydro-2-benzazepine
CID 67715130
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
3-methyl-2-(3-methylheptyl)-4H-azepine
CID 90756270
4,4a,9,9a-tetrahydro-3H-cyclohepta[b]pyridine
CID 90900792
3-Ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine
CID 90906755

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine?
The IUPAC name of 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine (CID 142053671) is 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine.
What is the SMILES notation for 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine?
The canonical SMILES for 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine is CCCC1C=NC2=C(C=CC(C)C2)CC1.
What is the InChIKey of 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine?
The InChIKey is XQIABJNYTYIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-4-12-6-8-13-7-5-11(2)9-14(13)15-10-12/h5,7,10-12H,3-4,6,8-9H2,1-2H3.
What are the key properties of 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine?
8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine has a molecular weight of 203.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propyl-4,5,8,9-tetrahydro-3H-1-benzazepine is sourced from PubChem (CID 142053671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).