2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine

C16H20N2 — CID 145474710

IUPAC2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine
SMILESCC/C=C\Cc1ccc2c(c1N)=NC(C)=CCC=2
InChIInChI=1S/C16H20N2/c1-3-4-5-8-13-10-11-14-9-6-7-12(2)18-16(14)15(13)17/h4-5,7,9-11H,3,6,8,17H2,1-2H3/b5-4-
InChIKeyFLYVLCOBLSOKNU-PLNGDYQASA-N
MW240.35 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine

2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine (PubChem CID 145474710) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine.

Molecular Properties

Compound Name2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine
PubChem CID145474710
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine
SMILESCC/C=C\Cc1ccc2c(c1N)=NC(C)=CCC=2
InChIInChI=1S/C16H20N2/c1-3-4-5-8-13-10-11-14-9-6-7-12(2)18-16(14)15(13)17/h4-5,7,9-11H,3,6,8,17H2,1-2H3/b5-4-
InChIKeyFLYVLCOBLSOKNU-PLNGDYQASA-N
XLogP2.49
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876700
(5E)-4-fluoro-6-methylimino-5-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 164876767
Methyl-2-amino-2,4,6-cycloheptatrieneimine
CID 129674376
(Z)-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]but-2-en-2-amine
CID 68086216
(2E,4Z)-5-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hepta-2,4-dien-4-amine
CID 88224971
(1Z,4E,6Z)-1-[(1R)-cyclohexa-2,4-dien-1-yl]-4-ethenyl-3-iminoocta-1,4,6-trien-1-amine
CID 88580763
2-Ethyl-4-methylideneindol-3-amine
CID 88747308
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
CID 89441659
(Z)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hex-2-en-3-amine
CID 89441676
(5Z)-5-(3-methylbut-2-enylidene)-7-azabicyclo[4.1.0]hepta-1,3,6-trien-3-amine
CID 90397922
2,3-Dimethyl-6-(3-methylbut-2-en-2-yl)indol-1-ium-7-amine
CID 123158345
(4E,6E)-3-N-ethyl-2,6-dimethyl-4-N-propan-2-ylidenenona-1,4,6,8-tetraene-3,4-diimine
CID 123885176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine?
The IUPAC name of 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine (CID 145474710) is 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine.
What is the SMILES notation for 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine?
The canonical SMILES for 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine is CC/C=C\Cc1ccc2c(c1N)=NC(C)=CCC=2.
What is the InChIKey of 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine?
The InChIKey is FLYVLCOBLSOKNU-PLNGDYQASA-N. The full InChI is InChI=1S/C16H20N2/c1-3-4-5-8-13-10-11-14-9-6-7-12(2)18-16(14)15(13)17/h4-5,7,9-11H,3,6,8,17H2,1-2H3/b5-4-.
What are the key properties of 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine?
2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine has a molecular weight of 240.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(Z)-pent-2-enyl]-4H-1-benzazepin-9-amine is sourced from PubChem (CID 145474710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).