1-(2-methylpropyl)-2H-2-benzazepine

C14H17N — CID 57305490

IUPAC1-(2-methylpropyl)-2H-2-benzazepine
SMILESCC(C)CC1=c2ccccc2=CC=CN1
InChIInChI=1S/C14H17N/c1-11(2)10-14-13-8-4-3-6-12(13)7-5-9-15-14/h3-9,11,15H,10H2,1-2H3
InChIKeyVCUZALUTRWCTKJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.74
Rot. Bonds2

About 1-(2-methylpropyl)-2H-2-benzazepine

1-(2-methylpropyl)-2H-2-benzazepine (PubChem CID 57305490) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2H-2-benzazepine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2H-2-benzazepine
PubChem CID57305490
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-(2-methylpropyl)-2H-2-benzazepine
SMILESCC(C)CC1=c2ccccc2=CC=CN1
InChIInChI=1S/C14H17N/c1-11(2)10-14-13-8-4-3-6-12(13)7-5-9-15-14/h3-9,11,15H,10H2,1-2H3
InChIKeyVCUZALUTRWCTKJ-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dimethyl-1,4-Azepin
CID 21560535
6,7,8,9-Tetrahydro-1-benzazepine
CID 67639352
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
CID 138525147
(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine
CID 155228813
N-[(3,6-difluoro-5-methylcyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpent-1-en-2-amine
CID 156131249
(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine
CID 166651598
N-ethenyl-4-fluoro-2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 167148048
(2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole
CID 167204290
(1Z,3Z)-N-(3-fluoro-4-methylpenta-1,4-dien-2-yl)-2-propan-2-ylpenta-1,3-dien-1-amine
CID 173982628
2-fluoro-N-[(Z)-(6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]propan-1-amine
CID 175621201

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2H-2-benzazepine?
The IUPAC name of 1-(2-methylpropyl)-2H-2-benzazepine (CID 57305490) is 1-(2-methylpropyl)-2H-2-benzazepine.
What is the SMILES notation for 1-(2-methylpropyl)-2H-2-benzazepine?
The canonical SMILES for 1-(2-methylpropyl)-2H-2-benzazepine is CC(C)CC1=c2ccccc2=CC=CN1.
What is the InChIKey of 1-(2-methylpropyl)-2H-2-benzazepine?
The InChIKey is VCUZALUTRWCTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11(2)10-14-13-8-4-3-6-12(13)7-5-9-15-14/h3-9,11,15H,10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2H-2-benzazepine?
1-(2-methylpropyl)-2H-2-benzazepine has a molecular weight of 199.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2H-2-benzazepine is sourced from PubChem (CID 57305490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).