(Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine

C9H12N2 — CID 143224183

IUPAC(Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine
SMILESCC1=C(/C=C\N)C=NC=CC1
InChIInChI=1S/C9H12N2/c1-8-3-2-6-11-7-9(8)4-5-10/h2,4-7H,3,10H2,1H3/b5-4-
InChIKeyVWJFZYQZMKGSSB-PLNGDYQASA-N
MW148.21 g/mol
LogP1.76
Rot. Bonds1

About (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine

(Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine (PubChem CID 143224183) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine
PubChem CID143224183
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine
SMILESCC1=C(/C=C\N)C=NC=CC1
InChIInChI=1S/C9H12N2/c1-8-3-2-6-11-7-9(8)4-5-10/h2,4-7H,3,10H2,1H3/b5-4-
InChIKeyVWJFZYQZMKGSSB-PLNGDYQASA-N
XLogP1.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855
1-[(Z)-[(4E)-5-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]amino]ethenamine
CID 144049148
(3E,4Z)-3-(2-fluoroprop-2-enylidene)-2-(methyliminomethyl)hepta-1,4-dien-1-amine
CID 173818793
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
(Z)-(2-methanimidoylcyclopenta-2,4-dien-1-ylidene)methanamine
CID 55290816
3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
[4,5-Dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 59962901
Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
(3Z)-3-(ethenyliminomethyl)hexa-1,3-dien-2-amine;yttrium
CID 60125184

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine?
The IUPAC name of (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine (CID 143224183) is (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine.
What is the SMILES notation for (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine?
The canonical SMILES for (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine is CC1=C(/C=C\N)C=NC=CC1.
What is the InChIKey of (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine?
The InChIKey is VWJFZYQZMKGSSB-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12N2/c1-8-3-2-6-11-7-9(8)4-5-10/h2,4-7H,3,10H2,1H3/b5-4-.
What are the key properties of (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine?
(Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine has a molecular weight of 148.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-methyl-4H-azepin-6-yl)ethenamine is sourced from PubChem (CID 143224183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).