5-ethenyl-N,7,7-trimethylazepin-4-amine

C11H16N2 — CID 143294895

IUPAC5-ethenyl-N,7,7-trimethylazepin-4-amine
SMILESC=CC1=CC(C)(C)N=CC=C1NC
InChIInChI=1S/C11H16N2/c1-5-9-8-11(2,3)13-7-6-10(9)12-4/h5-8,12H,1H2,2-4H3
InChIKeyOLZLWPJNVDWKGV-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.07
Rot. Bonds2

About 5-ethenyl-N,7,7-trimethylazepin-4-amine

5-ethenyl-N,7,7-trimethylazepin-4-amine (PubChem CID 143294895) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-ethenyl-N,7,7-trimethylazepin-4-amine.

Molecular Properties

Compound Name5-ethenyl-N,7,7-trimethylazepin-4-amine
PubChem CID143294895
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-ethenyl-N,7,7-trimethylazepin-4-amine
SMILESC=CC1=CC(C)(C)N=CC=C1NC
InChIInChI=1S/C11H16N2/c1-5-9-8-11(2,3)13-7-6-10(9)12-4/h5-8,12H,1H2,2-4H3
InChIKeyOLZLWPJNVDWKGV-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrido[3,2-c]azepine
CID 129706333
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
CID 59093785
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N,7,7-trimethylazepin-4-amine?
The IUPAC name of 5-ethenyl-N,7,7-trimethylazepin-4-amine (CID 143294895) is 5-ethenyl-N,7,7-trimethylazepin-4-amine.
What is the SMILES notation for 5-ethenyl-N,7,7-trimethylazepin-4-amine?
The canonical SMILES for 5-ethenyl-N,7,7-trimethylazepin-4-amine is C=CC1=CC(C)(C)N=CC=C1NC.
What is the InChIKey of 5-ethenyl-N,7,7-trimethylazepin-4-amine?
The InChIKey is OLZLWPJNVDWKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-9-8-11(2,3)13-7-6-10(9)12-4/h5-8,12H,1H2,2-4H3.
What are the key properties of 5-ethenyl-N,7,7-trimethylazepin-4-amine?
5-ethenyl-N,7,7-trimethylazepin-4-amine has a molecular weight of 176.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N,7,7-trimethylazepin-4-amine is sourced from PubChem (CID 143294895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).